5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine

C21H18N4O — CID 19257018

IUPAC5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(-c2ccc(C)cc2)nc2ncnc(N)c12
InChIInChI=1S/C21H18N4O/c1-13-7-9-14(10-8-13)17-11-16(15-5-3-4-6-18(15)26-2)19-20(22)23-12-24-21(19)25-17/h3-12H,1-2H3,(H2,22,23,24,25)
InChIKeyPPJBFWAUVRZECM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.26
Rot. Bonds3

About 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine

5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19257018) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19257018
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(-c2ccc(C)cc2)nc2ncnc(N)c12
InChIInChI=1S/C21H18N4O/c1-13-7-9-14(10-8-13)17-11-16(15-5-3-4-6-18(15)26-2)19-20(22)23-12-24-21(19)25-17/h3-12H,1-2H3,(H2,22,23,24,25)
InChIKeyPPJBFWAUVRZECM-UHFFFAOYSA-N
XLogP4.26
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 19257018) is 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc(-c2ccc(C)cc2)nc2ncnc(N)c12.
What is the InChIKey of 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is PPJBFWAUVRZECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-13-7-9-14(10-8-13)17-11-16(15-5-3-4-6-18(15)26-2)19-20(22)23-12-24-21(19)25-17/h3-12H,1-2H3,(H2,22,23,24,25).
What are the key properties of 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 342.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19257018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).