6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine

C24H20N6O — CID 22112846

IUPAC6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
InChIInChI=1S/C24H20N6O/c1-30-16-25-13-23(30)21-11-20-22(12-26-21)27-15-28-24(20)29-18-7-9-19(10-8-18)31-14-17-5-3-2-4-6-17/h2-13,15-16H,14H2,1H3,(H,27,28,29)
InChIKeyDOKKMZLPMGLGJX-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.75
Rot. Bonds6

About 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine

6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 22112846) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID22112846
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
InChIInChI=1S/C24H20N6O/c1-30-16-25-13-23(30)21-11-20-22(12-26-21)27-15-28-24(20)29-18-7-9-19(10-8-18)31-14-17-5-3-2-4-6-17/h2-13,15-16H,14H2,1H3,(H,27,28,29)
InChIKeyDOKKMZLPMGLGJX-UHFFFAOYSA-N
XLogP4.75
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine (CID 22112846) is 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine is Cn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1.
What is the InChIKey of 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DOKKMZLPMGLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-30-16-25-13-23(30)21-11-20-22(12-26-21)27-15-28-24(20)29-18-7-9-19(10-8-18)31-14-17-5-3-2-4-6-17/h2-13,15-16H,14H2,1H3,(H,27,28,29).
What are the key properties of 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine?
6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 408.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 22112846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).