6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

C23H23N5O3 — CID 68921020

IUPAC6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12
InChIInChI=1S/C23H23N5O3/c1-13-5-7-18(29-2)17(9-13)26-22-16-10-15(12-25-21(16)27-23(24)28-22)14-6-8-19(30-3)20(11-14)31-4/h5-12H,1-4H3,(H3,24,25,26,27,28)
InChIKeyPLFWMQCCWGGJJR-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.35
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 68921020) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID68921020
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12
InChIInChI=1S/C23H23N5O3/c1-13-5-7-18(29-2)17(9-13)26-22-16-10-15(12-25-21(16)27-23(24)28-22)14-6-8-19(30-3)20(11-14)31-4/h5-12H,1-4H3,(H3,24,25,26,27,28)
InChIKeyPLFWMQCCWGGJJR-UHFFFAOYSA-N
XLogP4.35
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride
CID 11996837
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
2-hydrazinyl-N-(2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334767
N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430533
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 11164068
3,5-dichloro-6-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 102762320
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 68921020) is 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(C)cc1Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PLFWMQCCWGGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13-5-7-18(29-2)17(9-13)26-22-16-10-15(12-25-21(16)27-23(24)28-22)14-6-8-19(30-3)20(11-14)31-4/h5-12H,1-4H3,(H3,24,25,26,27,28).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 417.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68921020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).