[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine

C120H164BrCl4N27O13 — CID 162069104

About [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine

[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine (PubChem CID 162069104) has the molecular formula C120H164BrCl4N27O13 and a molecular weight of 2414.52 g/mol. Its IUPAC name is [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine.

Molecular Properties

• Compound Name: [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine
• PubChem CID: 162069104
• Molecular Formula: C120H164BrCl4N27O13
• Molecular Weight: 2414.52 g/mol
• Exact Mass: 2410.09
• IUPAC Name: [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine
• SMILES: C.C1CCOC1.CC(C)(C)OC(=O)N1CCNCC1.CCCCCN.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3C)c12.COC(=O)c1ccc(CBr)c(OC)c1.COC(=O)c1ccc(Cn2ccc3nc(N)nc(Cl)c32)c(C)c1.Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cn1ccc2nc(N)nc(Cl)c21.Cc1cc(CO)ccc1Cn1ccc2nc(N)nc(Cl)c21.Nc1nc(Cl)c2c(n1)C=CC2
• InChI: InChI=1S/C29H43N7O2.C24H31ClN6O2.C16H15ClN4O2.C15H15ClN4O.C10H11BrO3.C9H18N2O2.C7H6ClN3.C5H13N.C4H8O.CH4/c1-6-7-8-12-31-26-25-24(32-27(30)33-26)11-13-36(25)20-23-10-9-22(18-21(23)2)19-34-14-16-35(17-15-34)28(37)38-29(3,4)5;1-16-13-17(14-29-9-11-30(12-10-29)23(32)33-24(2,3)4)5-6-18(16)15-31-8-7-19-20(31)21(25)28-22(26)27-19;1-9-7-10(15(22)23-2)3-4-11(9)8-21-6-5-12-13(21)14(17)20-16(18)19-12;1-9-6-10(8-21)2-3-11(9)7-20-5-4-12-13(20)14(16)19-15(17)18-12;1-13-9-5-7(10(12)14-2)3-4-8(9)6-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-5-6;1-2-4-5-3-1;/h9-11,13,18H,6-8,12,14-17,19-20H2,1-5H3,(H3,30,31,32,33);5-8,13H,9-12,14-15H2,1-4H3,(H2,26,27,28);3-7H,8H2,1-2H3,(H2,18,19,20);2-6,21H,7-8H2,1H3,(H2,17,18,19);3-5H,6H2,1-2H3;10H,4-7H2,1-3H3;1,3H,2H2,(H2,9,10,11);2-6H2,1H3;1-4H2;1H4
• InChIKey: ZAVLQMLDMDFRBM-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 515.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2414.52
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine?

The IUPAC name of [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine (CID 162069104) is [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine.

What is the SMILES notation for [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine?

The canonical SMILES for [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine is C.C1CCOC1.CC(C)(C)OC(=O)N1CCNCC1.CCCCCN.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3C)c12.COC(=O)c1ccc(CBr)c(OC)c1.COC(=O)c1ccc(Cn2ccc3nc(N)nc(Cl)c32)c(C)c1.Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cn1ccc2nc(N)nc(Cl)c21.Cc1cc(CO)ccc1Cn1ccc2nc(N)nc(Cl)c21.Nc1nc(Cl)c2c(n1)C=CC2.

What is the InChIKey of [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine?

The InChIKey is ZAVLQMLDMDFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C24H31ClN6O2.C16H15ClN4O2.C15H15ClN4O.C10H11BrO3.C9H18N2O2.C7H6ClN3.C5H13N.C4H8O.CH4/c1-6-7-8-12-31-26-25-24(32-27(30)33-26)11-13-36(25)20-23-10-9-22(18-21(23)2)19-34-14-16-35(17-15-34)28(37)38-29(3,4)5;1-16-13-17(14-29-9-11-30(12-10-29)23(32)33-24(2,3)4)5-6-18(16)15-31-8-7-19-20(31)21(25)28-22(26)27-19;1-9-7-10(15(22)23-2)3-4-11(9)8-21-6-5-12-13(21)14(17)20-16(18)19-12;1-9-6-10(8-21)2-3-11(9)7-20-5-4-12-13(20)14(16)19-15(17)18-12;1-13-9-5-7(10(12)14-2)3-4-8(9)6-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-5-6;1-2-4-5-3-1;/h9-11,13,18H,6-8,12,14-17,19-20H2,1-5H3,(H3,30,31,32,33);5-8,13H,9-12,14-15H2,1-4H3,(H2,26,27,28);3-7H,8H2,1-2H3,(H2,18,19,20);2-6,21H,7-8H2,1H3,(H2,17,18,19);3-5H,6H2,1-2H3;10H,4-7H2,1-3H3;1,3H,2H2,(H2,9,10,11);2-6H2,1H3;1-4H2;1H4.

What are the key properties of [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine?

[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine has a molecular weight of 2414.52 g/mol, XLogP of 21.48, 25 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methanol;tert-butyl 4-[[4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;methane;methyl 4-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methylbenzoate;methyl 4-(bromomethyl)-3-methoxybenzoate;oxolane;pentan-1-amine is sourced from PubChem (CID 162069104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).