4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

C25H31N7 — CID 46200202

IUPAC4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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@@H]4CC5CCC4C5)n2)CN(C)CC3)cc1
InChIInChI=1S/C25H31N7/c1-16-26-10-12-32(16)20-7-5-19(6-8-20)27-25-29-22-9-11-31(2)15-21(22)24(30-25)28-23-14-17-3-4-18(23)13-17/h5-8,10,12,17-18,23H,3-4,9,11,13-15H2,1-2H3,(H2,27,28,29,30)/t17?,18?,23-/m1/s1
InChIKeyVAUHJPOZOFLQGS-QPFKGPCDSA-N
MW429.57 g/mol
LogP4.30
Rot. Bonds5

About 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 46200202) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID46200202
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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@@H]4CC5CCC4C5)n2)CN(C)CC3)cc1
InChIInChI=1S/C25H31N7/c1-16-26-10-12-32(16)20-7-5-19(6-8-20)27-25-29-22-9-11-31(2)15-21(22)24(30-25)28-23-14-17-3-4-18(23)13-17/h5-8,10,12,17-18,23H,3-4,9,11,13-15H2,1-2H3,(H2,27,28,29,30)/t17?,18?,23-/m1/s1
InChIKeyVAUHJPOZOFLQGS-QPFKGPCDSA-N
XLogP4.30
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 46200202) is 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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@@H]4CC5CCC4C5)n2)CN(C)CC3)cc1.
What is the InChIKey of 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is VAUHJPOZOFLQGS-QPFKGPCDSA-N. The full InChI is InChI=1S/C25H31N7/c1-16-26-10-12-32(16)20-7-5-19(6-8-20)27-25-29-22-9-11-31(2)15-21(22)24(30-25)28-23-14-17-3-4-18(23)13-17/h5-8,10,12,17-18,23H,3-4,9,11,13-15H2,1-2H3,(H2,27,28,29,30)/t17?,18?,23-/m1/s1.
What are the key properties of 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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 429.57 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-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 46200202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).