2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C20H27N7 — CID 95195590

IUPAC2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C20H27N7/c1-5-14(19-23-15-7-6-12(2)10-16(15)24-19)22-18-13-8-9-21-11-17(13)25-20(26-18)27(3)4/h6-7,10,14,21H,5,8-9,11H2,1-4H3,(H,23,24)(H,22,25,26)/t14-/m1/s1
InChIKeyWYQRYYDXAIAUFF-CQSZACIVSA-N
MW365.49 g/mol
LogP2.94
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 95195590) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID95195590
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C20H27N7/c1-5-14(19-23-15-7-6-12(2)10-16(15)24-19)22-18-13-8-9-21-11-17(13)25-20(26-18)27(3)4/h6-7,10,14,21H,5,8-9,11H2,1-4H3,(H,23,24)(H,22,25,26)/t14-/m1/s1
InChIKeyWYQRYYDXAIAUFF-CQSZACIVSA-N
XLogP2.94
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 95195590) is 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CC[C@@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is WYQRYYDXAIAUFF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N7/c1-5-14(19-23-15-7-6-12(2)10-16(15)24-19)22-18-13-8-9-21-11-17(13)25-20(26-18)27(3)4/h6-7,10,14,21H,5,8-9,11H2,1-4H3,(H,23,24)(H,22,25,26)/t14-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 365.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 95195590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).