5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine

C11H11BrN4 — CID 69080351

IUPAC5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C11H11BrN4/c1-6-9(10(13)16-11(14)15-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyQESDHGZXABRFMI-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.38
Rot. Bonds1

About 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine

5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 69080351) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID69080351
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C11H11BrN4/c1-6-9(10(13)16-11(14)15-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyQESDHGZXABRFMI-UHFFFAOYSA-N
XLogP2.38
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine
CID 67199242
5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 69076409
6-(3-bromophenyl)pteridine-2,4,7-triamine
CID 118987043
2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
5-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine
CID 67199120
5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107982716
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79802922
3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274166
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
5-(3-methoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 15280859
4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153292

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine (CID 69080351) is 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is QESDHGZXABRFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-6-9(10(13)16-11(14)15-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H4,13,14,15,16).
What are the key properties of 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine?
5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 69080351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).