7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine

C15H13BrClN5 — CID 175388157

IUPAC7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(Cl)c2C)c2ncc(Br)cc2n1
InChIInChI=1S/C15H13BrClN5/c1-8-10(17)4-3-5-11(8)20-14-13-12(6-9(16)7-19-13)21-15(18-2)22-14/h3-7H,1-2H3,(H2,18,20,21,22)
InChIKeyJJFPUAAZUZBGOW-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.53
Rot. Bonds3

About 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine

7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 175388157) has the molecular formula C15H13BrClN5 and a molecular weight of 378.66 g/mol. Its IUPAC name is 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID175388157
Molecular FormulaC15H13BrClN5
Molecular Weight378.66 g/mol
Exact Mass377.00
IUPAC Name7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(Cl)c2C)c2ncc(Br)cc2n1
InChIInChI=1S/C15H13BrClN5/c1-8-10(17)4-3-5-11(8)20-14-13-12(6-9(16)7-19-13)21-15(18-2)22-14/h3-7H,1-2H3,(H2,18,20,21,22)
InChIKeyJJFPUAAZUZBGOW-UHFFFAOYSA-N
XLogP4.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
CID 116783085
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837
3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine
CID 105368110
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 175388157) is 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine is CNc1nc(Nc2cccc(Cl)c2C)c2ncc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is JJFPUAAZUZBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5/c1-8-10(17)4-3-5-11(8)20-14-13-12(6-9(16)7-19-13)21-15(18-2)22-14/h3-7H,1-2H3,(H2,18,20,21,22).
What are the key properties of 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine?
7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 378.66 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-N-(3-chloro-2-methylphenyl)-2-N-methylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 175388157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).