6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine

C14H11BrN6 — CID 3356145

IUPAC6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(-c2cncc(Br)c2)n1
InChIInChI=1S/C14H11BrN6/c1-9-19-12(10-5-11(15)8-16-7-10)6-13(20-9)21-14-17-3-2-4-18-14/h2-8H,1H3,(H,17,18,19,20,21)
InChIKeyXEIZDRNXSJRLEO-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.14
Rot. Bonds3

About 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine

6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 3356145) has the molecular formula C14H11BrN6 and a molecular weight of 343.19 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID3356145
Molecular FormulaC14H11BrN6
Molecular Weight343.19 g/mol
Exact Mass342.02
IUPAC Name6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(-c2cncc(Br)c2)n1
InChIInChI=1S/C14H11BrN6/c1-9-19-12(10-5-11(15)8-16-7-10)6-13(20-9)21-14-17-3-2-4-18-14/h2-8H,1H3,(H,17,18,19,20,21)
InChIKeyXEIZDRNXSJRLEO-UHFFFAOYSA-N
XLogP3.14
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 108775245
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
CID 53426314
2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine
CID 117075580
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine (CID 3356145) is 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc(-c2cncc(Br)c2)n1.
What is the InChIKey of 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is XEIZDRNXSJRLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN6/c1-9-19-12(10-5-11(15)8-16-7-10)6-13(20-9)21-14-17-3-2-4-18-14/h2-8H,1H3,(H,17,18,19,20,21).
What are the key properties of 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 343.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3356145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).