N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C116H158N38O2 — CID 164987425

About N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164987425) has the molecular formula C116H158N38O2 and a molecular weight of 2116.80 g/mol. Its IUPAC name is N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 164987425
• Molecular Formula: C116H158N38O2
• Molecular Weight: 2116.80 g/mol
• Exact Mass: 2115.34
• IUPAC Name: N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CCCCNc1ncnc2[nH]c(-c3ccccc3)cc12.CCCCNc1ncnc2[nH]c(-c3cnn(C)c3)cc12.CCCCNc1ncnc2[nH]c(C(C)O)cc12.CCCCNc1ncnc2[nH]c(C(C)OCC)cc12.CCCCNc1ncnc2[nH]c(C)cc12.CCCCNc1ncnc2[nH]c(C)cc12.CCCCNc1ncnc2[nH]c(CC)cc12.CCCCNc1ncnc2[nH]c(CC)cc12.Cc1cc2c(NCc3ccccc3)ncnc2[nH]1
• InChI: InChI=1S/C16H18N4.C14H18N6.C14H22N4O.C14H14N4.C12H18N4O.2C12H18N4.2C11H16N4/c1-2-3-9-17-15-13-10-14(12-7-5-4-6-8-12)20-16(13)19-11-18-15;1-3-4-5-15-13-11-6-12(10-7-18-20(2)8-10)19-14(11)17-9-16-13;1-4-6-7-15-13-11-8-12(10(3)19-5-2)18-14(11)17-9-16-13;1-10-7-12-13(16-9-17-14(12)18-10)15-8-11-5-3-2-4-6-11;1-3-4-5-13-11-9-6-10(8(2)17)16-12(9)15-7-14-11;2*1-3-5-6-13-11-10-7-9(4-2)16-12(10)15-8-14-11;2*1-3-4-5-12-10-9-6-8(2)15-11(9)14-7-13-10/h4-8,10-11H,2-3,9H2,1H3,(H2,17,18,19,20);6-9H,3-5H2,1-2H3,(H2,15,16,17,19);8-10H,4-7H2,1-3H3,(H2,15,16,17,18);2-7,9H,8H2,1H3,(H2,15,16,17,18);6-8,17H,3-5H2,1-2H3,(H2,13,14,15,16);2*7-8H,3-6H2,1-2H3,(H2,13,14,15,16);2*6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
• InChIKey: GJAKSXMZPZTRCB-UHFFFAOYSA-N
• XLogP: 25.20
• TPSA: 529.68 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 43
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2116.80
LogP ≤ 5	25.20
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 164987425) is N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCNc1ncnc2[nH]c(-c3ccccc3)cc12.CCCCNc1ncnc2[nH]c(-c3cnn(C)c3)cc12.CCCCNc1ncnc2[nH]c(C(C)O)cc12.CCCCNc1ncnc2[nH]c(C(C)OCC)cc12.CCCCNc1ncnc2[nH]c(C)cc12.CCCCNc1ncnc2[nH]c(C)cc12.CCCCNc1ncnc2[nH]c(CC)cc12.CCCCNc1ncnc2[nH]c(CC)cc12.Cc1cc2c(NCc3ccccc3)ncnc2[nH]1.

What is the InChIKey of N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is GJAKSXMZPZTRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4.C14H18N6.C14H22N4O.C14H14N4.C12H18N4O.2C12H18N4.2C11H16N4/c1-2-3-9-17-15-13-10-14(12-7-5-4-6-8-12)20-16(13)19-11-18-15;1-3-4-5-15-13-11-6-12(10-7-18-20(2)8-10)19-14(11)17-9-16-13;1-4-6-7-15-13-11-8-12(10(3)19-5-2)18-14(11)17-9-16-13;1-10-7-12-13(16-9-17-14(12)18-10)15-8-11-5-3-2-4-6-11;1-3-4-5-13-11-9-6-10(8(2)17)16-12(9)15-7-14-11;2*1-3-5-6-13-11-10-7-9(4-2)16-12(10)15-8-14-11;2*1-3-4-5-12-10-9-6-8(2)15-11(9)14-7-13-10/h4-8,10-11H,2-3,9H2,1H3,(H2,17,18,19,20);6-9H,3-5H2,1-2H3,(H2,15,16,17,19);8-10H,4-7H2,1-3H3,(H2,15,16,17,18);2-7,9H,8H2,1H3,(H2,15,16,17,18);6-8,17H,3-5H2,1-2H3,(H2,13,14,15,16);2*7-8H,3-6H2,1-2H3,(H2,13,14,15,16);2*6-7H,3-5H2,1-2H3,(H2,12,13,14,15).

What are the key properties of N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2116.80 g/mol, XLogP of 25.20, 43 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanol;N-butyl-6-(1-ethoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164987425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).