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

C23H22N4O3 — CID 19257016

IUPAC7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnc(N)c23)c(OC)c1OC
InChIInChI=1S/C23H22N4O3/c1-13-5-7-14(8-6-13)17-11-16(19-22(24)25-12-26-23(19)27-17)15-9-10-18(28-2)21(30-4)20(15)29-3/h5-12H,1-4H3,(H2,24,25,26,27)
InChIKeyVMPZLDGASOYVPF-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.28
Rot. Bonds5

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

7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19257016) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19257016
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnc(N)c23)c(OC)c1OC
InChIInChI=1S/C23H22N4O3/c1-13-5-7-14(8-6-13)17-11-16(19-22(24)25-12-26-23(19)27-17)15-9-10-18(28-2)21(30-4)20(15)29-3/h5-12H,1-4H3,(H2,24,25,26,27)
InChIKeyVMPZLDGASOYVPF-UHFFFAOYSA-N
XLogP4.28
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 19257016) is 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnc(N)c23)c(OC)c1OC.
What is the InChIKey of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is VMPZLDGASOYVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13-5-7-14(8-6-13)17-11-16(19-22(24)25-12-26-23(19)27-17)15-9-10-18(28-2)21(30-4)20(15)29-3/h5-12H,1-4H3,(H2,24,25,26,27).
What are the key properties of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 402.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19257016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).