5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C11H11BrN4 — CID 80762038

IUPAC5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)ncc2Br)cc1
InChIInChI=1S/C11H11BrN4/c1-7-2-4-8(5-3-7)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H3,13,14,15,16)
InChIKeySNWKHXBPOCBHNE-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.87
Rot. Bonds2

About 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80762038) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80762038
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)ncc2Br)cc1
InChIInChI=1S/C11H11BrN4/c1-7-2-4-8(5-3-7)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H3,13,14,15,16)
InChIKeySNWKHXBPOCBHNE-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54603924
2-[4-[(2-amino-5-bromopyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80821946
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
5-[(2-amino-5-bromopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 80749350
5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850623
5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
CID 134854467
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
CID 114262803
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 80850079
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 80762038) is 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N)ncc2Br)cc1.
What is the InChIKey of 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SNWKHXBPOCBHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-2-4-8(5-3-7)15-10-9(12)6-14-11(13)16-10/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80762038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).