6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride

C27H24ClN5O3 — CID 162334062

IUPAC6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccc(OC)c(OC)c2)nc1.Cl
InChIInChI=1S/C27H23N5O3.ClH/c1-33-18-10-11-19(29-14-18)25-23(17-9-12-20(34-2)21(13-17)35-3)22(16-7-5-4-6-8-16)24-26(28)30-15-31-27(24)32-25;/h4-15H,1-3H3,(H2,28,30,31,32);1H
InChIKeyAXRHNDKWXPIDGS-UHFFFAOYSA-N
MW501.97 g/mol
LogP5.45
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride

6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 162334062) has the molecular formula C27H24ClN5O3 and a molecular weight of 501.97 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID162334062
Molecular FormulaC27H24ClN5O3
Molecular Weight501.97 g/mol
Exact Mass501.16
IUPAC Name6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccc(OC)c(OC)c2)nc1.Cl
InChIInChI=1S/C27H23N5O3.ClH/c1-33-18-10-11-19(29-14-18)25-23(17-9-12-20(34-2)21(13-17)35-3)22(16-7-5-4-6-8-16)24-26(28)30-15-31-27(24)32-25;/h4-15H,1-3H3,(H2,28,30,31,32);1H
InChIKeyAXRHNDKWXPIDGS-UHFFFAOYSA-N
XLogP5.45
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.97
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 19353455
7-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256900
7-(2,5-dimethoxyphenyl)-5-(4-ethoxy-3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257056
5-(4-ethoxy-3-methoxyphenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256949
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
5-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256895
7-(4-methoxyphenyl)-6-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10133746
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
7-methyl-6-propan-2-yl-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257070
7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257027
5-(2-methoxyphenyl)-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257018

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride (CID 162334062) is 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride is COc1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccc(OC)c(OC)c2)nc1.Cl.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AXRHNDKWXPIDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3.ClH/c1-33-18-10-11-19(29-14-18)25-23(17-9-12-20(34-2)21(13-17)35-3)22(16-7-5-4-6-8-16)24-26(28)30-15-31-27(24)32-25;/h4-15H,1-3H3,(H2,28,30,31,32);1H.
What are the key properties of 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 501.97 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-7-(5-methoxy-2-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 162334062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).