4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

C25H33N7 — CID 46200351

IUPAC4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCc1nccn1-c1ccc(Nc2nc3c(c(N(C)C4CCCCC4)n2)CN(C)CC3)cc1
InChIInChI=1S/C25H33N7/c1-18-26-14-16-32(18)21-11-9-19(10-12-21)27-25-28-23-13-15-30(2)17-22(23)24(29-25)31(3)20-7-5-4-6-8-20/h9-12,14,16,20H,4-8,13,15,17H2,1-3H3,(H,27,28,29)
InChIKeyDFGQHQILIOUSMF-UHFFFAOYSA-N
MW431.59 g/mol
LogP4.47
Rot. Bonds5

About 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 46200351) has the molecular formula C25H33N7 and a molecular weight of 431.59 g/mol. Its IUPAC name is 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID46200351
Molecular FormulaC25H33N7
Molecular Weight431.59 g/mol
Exact Mass431.28
IUPAC Name4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCc1nccn1-c1ccc(Nc2nc3c(c(N(C)C4CCCCC4)n2)CN(C)CC3)cc1
InChIInChI=1S/C25H33N7/c1-18-26-14-16-32(18)21-11-9-19(10-12-21)27-25-28-23-13-15-30(2)17-22(23)24(29-25)31(3)20-7-5-4-6-8-20/h9-12,14,16,20H,4-8,13,15,17H2,1-3H3,(H,27,28,29)
InChIKeyDFGQHQILIOUSMF-UHFFFAOYSA-N
XLogP4.47
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 46200351) is 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is Cc1nccn1-c1ccc(Nc2nc3c(c(N(C)C4CCCCC4)n2)CN(C)CC3)cc1.
What is the InChIKey of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is DFGQHQILIOUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7/c1-18-26-14-16-32(18)21-11-9-19(10-12-21)27-25-28-23-13-15-30(2)17-22(23)24(29-25)31(3)20-7-5-4-6-8-20/h9-12,14,16,20H,4-8,13,15,17H2,1-3H3,(H,27,28,29).
What are the key properties of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 431.59 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46200351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).