2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine

C30H24Cl3N7O4 — CID 162028964

IUPAC2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2cc3c(Cl)nc(Cl)nc3cn2)c1.COc1cc(OC)cc(-c2cc3c(N)nc(Cl)nc3cn2)c1
InChIInChI=1S/C15H11Cl2N3O2.C15H13ClN4O2/c1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(17)20-14(11)16;1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(16)20-14(11)17/h3-7H,1-2H3;3-7H,1-2H3,(H2,17,19,20)
InChIKeyYVTOMPVOWPOZDC-UHFFFAOYSA-N
MW652.93 g/mol
LogP6.96
Rot. Bonds6

About 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine

2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine (PubChem CID 162028964) has the molecular formula C30H24Cl3N7O4 and a molecular weight of 652.93 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
PubChem CID162028964
Molecular FormulaC30H24Cl3N7O4
Molecular Weight652.93 g/mol
Exact Mass651.10
IUPAC Name2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2cc3c(Cl)nc(Cl)nc3cn2)c1.COc1cc(OC)cc(-c2cc3c(N)nc(Cl)nc3cn2)c1
InChIInChI=1S/C15H11Cl2N3O2.C15H13ClN4O2/c1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(17)20-14(11)16;1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(16)20-14(11)17/h3-7H,1-2H3;3-7H,1-2H3,(H2,17,19,20)
InChIKeyYVTOMPVOWPOZDC-UHFFFAOYSA-N
XLogP6.96
TPSA140.28 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500652.93
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 135181348
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83240805
6-[2,4-bis(phosphanyl)phenoxy]-2-chloropyrido[3,4-d]pyrimidin-4-amine
CID 142951473
7-chloro-3-(3,5-dimethoxyphenyl)-1-methyl-2,6-naphthyridine
CID 142754785
3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
CID 25058376
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241
7-bromo-2,4-dichloro-6-methoxyquinazoline
CID 155682427
azane;8-bromo-2-chloro-6-methoxyquinazolin-4-amine;8-bromo-2,4-dichloro-6-methoxyquinazoline;8-bromo-6-methoxy-1H-quinazoline-2,4-dione
CID 158076280
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline
CID 118036174
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
CID 62858062
5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
CID 66313968

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine (CID 162028964) is 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine is COc1cc(OC)cc(-c2cc3c(Cl)nc(Cl)nc3cn2)c1.COc1cc(OC)cc(-c2cc3c(N)nc(Cl)nc3cn2)c1.
What is the InChIKey of 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The InChIKey is YVTOMPVOWPOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2.C15H13ClN4O2/c1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(17)20-14(11)16;1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(16)20-14(11)17/h3-7H,1-2H3;3-7H,1-2H3,(H2,17,19,20).
What are the key properties of 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine has a molecular weight of 652.93 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 162028964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).