2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine

C14H15N7O — CID 155545630

IUPAC2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine
SMILESCOc1ccc(CNc2ncc3c(N)nc(N)nc3n2)cc1
InChIInChI=1S/C14H15N7O/c1-22-9-4-2-8(3-5-9)6-17-14-18-7-10-11(15)19-13(16)20-12(10)21-14/h2-5,7H,6H2,1H3,(H5,15,16,17,18,19,20,21)
InChIKeyMGVKMRXOPHIWGB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.20
Rot. Bonds4

About 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine

2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine (PubChem CID 155545630) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine
PubChem CID155545630
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine
SMILESCOc1ccc(CNc2ncc3c(N)nc(N)nc3n2)cc1
InChIInChI=1S/C14H15N7O/c1-22-9-4-2-8(3-5-9)6-17-14-18-7-10-11(15)19-13(16)20-12(10)21-14/h2-5,7H,6H2,1H3,(H5,15,16,17,18,19,20,21)
InChIKeyMGVKMRXOPHIWGB-UHFFFAOYSA-N
XLogP1.20
TPSA124.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Piritrexim
CID 54369
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
6-(3,5-Dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328126
6-(2,6-Dimethoxyphenyl)pyrido(2,3-d)pyrimidine-2,7-diamine
CID 21850055
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-[(5-Iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481091
Sri-9662
CID 446753
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
1-[2-Amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329128
1-[2-Amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329131

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine (CID 155545630) is 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine is COc1ccc(CNc2ncc3c(N)nc(N)nc3n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The InChIKey is MGVKMRXOPHIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-22-9-4-2-8(3-5-9)6-17-14-18-7-10-11(15)19-13(16)20-12(10)21-14/h2-5,7H,6H2,1H3,(H5,15,16,17,18,19,20,21).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine has a molecular weight of 297.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 155545630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).