2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine

C25H32N6O — CID 46953423

IUPAC2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CN2CCc3c(nc(-c4ccccn4)nc3NC(C)CN(C)C)C2)cc1
InChIInChI=1S/C25H32N6O/c1-18(15-30(2)3)27-24-21-12-14-31(16-19-8-10-20(32-4)11-9-19)17-23(21)28-25(29-24)22-7-5-6-13-26-22/h5-11,13,18H,12,14-17H2,1-4H3,(H,27,28,29)
InChIKeyQWFINSPZXSSMTQ-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.47
Rot. Bonds8

About 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 46953423) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID46953423
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CN2CCc3c(nc(-c4ccccn4)nc3NC(C)CN(C)C)C2)cc1
InChIInChI=1S/C25H32N6O/c1-18(15-30(2)3)27-24-21-12-14-31(16-19-8-10-20(32-4)11-9-19)17-23(21)28-25(29-24)22-7-5-6-13-26-22/h5-11,13,18H,12,14-17H2,1-4H3,(H,27,28,29)
InChIKeyQWFINSPZXSSMTQ-UHFFFAOYSA-N
XLogP3.47
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 46953423) is 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(CN2CCc3c(nc(-c4ccccn4)nc3NC(C)CN(C)C)C2)cc1.
What is the InChIKey of 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QWFINSPZXSSMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-18(15-30(2)3)27-24-21-12-14-31(16-19-8-10-20(32-4)11-9-19)17-23(21)28-25(29-24)22-7-5-6-13-26-22/h5-11,13,18H,12,14-17H2,1-4H3,(H,27,28,29).
What are the key properties of 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 432.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[7-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 46953423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).