4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane

C43H70Cl2N10O7 — CID 166130924

About 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane

4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane (PubChem CID 166130924) has the molecular formula C43H70Cl2N10O7 and a molecular weight of 910.00 g/mol. Its IUPAC name is 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane.

Molecular Properties

• Compound Name: 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane
• PubChem CID: 166130924
• Molecular Formula: C43H70Cl2N10O7
• Molecular Weight: 910.00 g/mol
• Exact Mass: 908.48
• IUPAC Name: 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane
• SMILES: CC.CC(C)(CO)OCCNC(=O)c1ccc(CNC(=O)c2cn(C3CC(O)C(CO)O3)c3ncnc(N)c23)cc1.CC(C)CCCCCCl.CCl.CNc1ncnc(N)c1C
• InChI: InChI=1S/C26H34N6O7.C8H17Cl.C6H10N4.C2H6.CH3Cl/c1-26(2,13-34)38-8-7-28-24(36)16-5-3-15(4-6-16)10-29-25(37)17-11-32(20-9-18(35)19(12-33)39-20)23-21(17)22(27)30-14-31-23;1-8(2)6-4-3-5-7-9;1-4-5(7)9-3-10-6(4)8-2;2*1-2/h3-6,11,14,18-20,33-35H,7-10,12-13H2,1-2H3,(H,28,36)(H,29,37)(H2,27,30,31);8H,3-7H2,1-2H3;3H,1-2H3,(H3,7,8,9,10);1-2H3;1H3
• InChIKey: FKTGRBRKIHHQGQ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 257.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	910.00
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane?

The IUPAC name of 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane (CID 166130924) is 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane.

What is the SMILES notation for 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane?

The canonical SMILES for 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane is CC.CC(C)(CO)OCCNC(=O)c1ccc(CNC(=O)c2cn(C3CC(O)C(CO)O3)c3ncnc(N)c23)cc1.CC(C)CCCCCCl.CCl.CNc1ncnc(N)c1C.

What is the InChIKey of 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane?

The InChIKey is FKTGRBRKIHHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O7.C8H17Cl.C6H10N4.C2H6.CH3Cl/c1-26(2,13-34)38-8-7-28-24(36)16-5-3-15(4-6-16)10-29-25(37)17-11-32(20-9-18(35)19(12-33)39-20)23-21(17)22(27)30-14-31-23;1-8(2)6-4-3-5-7-9;1-4-5(7)9-3-10-6(4)8-2;2*1-2/h3-6,11,14,18-20,33-35H,7-10,12-13H2,1-2H3,(H,28,36)(H,29,37)(H2,27,30,31);8H,3-7H2,1-2H3;3H,1-2H3,(H3,7,8,9,10);1-2H3;1H3.

What are the key properties of 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane?

4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane has a molecular weight of 910.00 g/mol, XLogP of 5.83, 17 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethylcarbamoyl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;chloromethane;1-chloro-6-methylheptane;4-N,5-dimethylpyrimidine-4,6-diamine;ethane is sourced from PubChem (CID 166130924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).