2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

C24H27N7O2 — CID 73386884

IUPAC2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N(C)C3CCOCC3)c2n1
InChIInChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)32-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31(2)19-7-10-33-11-8-19/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29)
InChIKeyKBVDAKJRMXPYHL-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.79
Rot. Bonds6

About 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 73386884) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID73386884
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N(C)C3CCOCC3)c2n1
InChIInChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)32-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31(2)19-7-10-33-11-8-19/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29)
InChIKeyKBVDAKJRMXPYHL-UHFFFAOYSA-N
XLogP3.79
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-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 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (CID 73386884) is 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N(C)C3CCOCC3)c2n1.
What is the InChIKey of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is KBVDAKJRMXPYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)32-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31(2)19-7-10-33-11-8-19/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29).
What are the key properties of 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 445.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-methyl-8-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 73386884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).