5-bromo-4-(4-methylphenyl)pyrimidin-2-amine

C11H10BrN3 — CID 134854467

IUPAC5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2nc(N)ncc2Br)cc1
InChIInChI=1S/C11H10BrN3/c1-7-2-4-8(5-3-7)10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyCPJBPIOUOGXEHW-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.80
Rot. Bonds1

About 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine

5-bromo-4-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 134854467) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
PubChem CID134854467
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2nc(N)ncc2Br)cc1
InChIInChI=1S/C11H10BrN3/c1-7-2-4-8(5-3-7)10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyCPJBPIOUOGXEHW-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80762038
2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
CID 84808579
4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
CID 117260801
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one
CID 90708322
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
5-bromo-2-methyl-4-(1H-pyrrol-3-yl)pyrimidine
CID 96590663
5-bromo-4-(tribromomethyl)pyrimidin-2-amine
CID 86058700
4-phenylpyrimidine-2,5-diamine
CID 89253384
4-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867122
5-bromo-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66303876
5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine (CID 134854467) is 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(-c2nc(N)ncc2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is CPJBPIOUOGXEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-7-2-4-8(5-3-7)10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine?
5-bromo-4-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 264.13 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 134854467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).