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

C15H14BrN5O — CID 112866108

IUPAC6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(C)c(Br)c3)ncn2)no1
InChIInChI=1S/C15H14BrN5O/c1-9-3-4-11(6-12(9)16)19-13-7-14(18-8-17-13)20-15-5-10(2)22-21-15/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyCLXXKWIIKFUYMN-UHFFFAOYSA-N
MW360.22 g/mol
LogP4.33
Rot. Bonds4

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

6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 112866108) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID112866108
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(C)c(Br)c3)ncn2)no1
InChIInChI=1S/C15H14BrN5O/c1-9-3-4-11(6-12(9)16)19-13-7-14(18-8-17-13)20-15-5-10(2)22-21-15/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyCLXXKWIIKFUYMN-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)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867019
3-N-(3-bromo-4-methylphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967058
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965
6-N-(3-chloro-4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112866035
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863632
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 112866108) is 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is Cc1cc(Nc2cc(Nc3ccc(C)c(Br)c3)ncn2)no1.
What is the InChIKey of 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is CLXXKWIIKFUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-9-3-4-11(6-12(9)16)19-13-7-14(18-8-17-13)20-15-5-10(2)22-21-15/h3-8H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
6-N-(3-bromo-4-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-(3-bromo-4-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).