6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine

C15H14BrN5O — CID 112867019

IUPAC6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(Br)cc3C)ncn2)no1
InChIInChI=1S/C15H14BrN5O/c1-9-5-11(16)3-4-12(9)19-13-7-14(18-8-17-13)20-15-6-10(2)22-21-15/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyTZAKPVABIGMGQQ-UHFFFAOYSA-N
MW360.22 g/mol
LogP4.33
Rot. Bonds4

About 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine

6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 112867019) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID112867019
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(Br)cc3C)ncn2)no1
InChIInChI=1S/C15H14BrN5O/c1-9-5-11(16)3-4-12(9)19-13-7-14(18-8-17-13)20-15-6-10(2)22-21-15/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyTZAKPVABIGMGQQ-UHFFFAOYSA-N
XLogP4.33
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112866108
2-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195124
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112867017
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857691
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193175
6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
CID 109353932
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867157
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 112867019) is 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is Cc1cc(Nc2cc(Nc3ccc(Br)cc3C)ncn2)no1.
What is the InChIKey of 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is TZAKPVABIGMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-9-5-11(16)3-4-12(9)19-13-7-14(18-8-17-13)20-15-6-10(2)22-21-15/h3-8H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 360.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112867019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).