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

C16H16BrN5O — CID 112878999

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(C)on2)cc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C16H16BrN5O/c1-9-6-12(17)4-5-13(9)20-14-8-15(19-11(3)18-14)21-16-7-10(2)23-22-16/h4-8H,1-3H3,(H2,18,19,20,21,22)
InChIKeyRVBKQCXUDPRVIY-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.64
Rot. Bonds4

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

6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 112878999) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID112878999
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(C)on2)cc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C16H16BrN5O/c1-9-6-12(17)4-5-13(9)20-14-8-15(19-11(3)18-14)21-16-7-10(2)23-22-16/h4-8H,1-3H3,(H2,18,19,20,21,22)
InChIKeyRVBKQCXUDPRVIY-UHFFFAOYSA-N
XLogP4.64
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 112878999) is 6-N-(4-bromo-2-methylphenyl)-2-methyl-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)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is Cc1nc(Nc2cc(C)on2)cc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of 6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is RVBKQCXUDPRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-9-6-12(17)4-5-13(9)20-14-8-15(19-11(3)18-14)21-16-7-10(2)23-22-16/h4-8H,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 374.24 g/mol, XLogP of 4.64, 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)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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