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

C23H22N4O4 — CID 19257027

IUPAC7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(-c3ccc(OC)c(OC)c3OC)c3c(N)ncnc3n2)c1
InChIInChI=1S/C23H22N4O4/c1-28-14-7-5-6-13(10-14)17-11-16(19-22(24)25-12-26-23(19)27-17)15-8-9-18(29-2)21(31-4)20(15)30-3/h5-12H,1-4H3,(H2,24,25,26,27)
InChIKeyHSAJBASVLYVKGP-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.98
Rot. Bonds6

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

7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19257027) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19257027
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(-c3ccc(OC)c(OC)c3OC)c3c(N)ncnc3n2)c1
InChIInChI=1S/C23H22N4O4/c1-28-14-7-5-6-13(10-14)17-11-16(19-22(24)25-12-26-23(19)27-17)15-8-9-18(29-2)21(31-4)20(15)30-3/h5-12H,1-4H3,(H2,24,25,26,27)
InChIKeyHSAJBASVLYVKGP-UHFFFAOYSA-N
XLogP3.98
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 19257027) is 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3OC)c3c(N)ncnc3n2)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HSAJBASVLYVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-28-14-7-5-6-13(10-14)17-11-16(19-22(24)25-12-26-23(19)27-17)15-8-9-18(29-2)21(31-4)20(15)30-3/h5-12H,1-4H3,(H2,24,25,26,27).
What are the key properties of 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 418.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19257027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).