6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C11H11BrN4 — CID 116796334

IUPAC6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)cc(Br)n2)c1
InChIInChI=1S/C11H11BrN4/c1-7-3-2-4-8(5-7)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyZWFPKDSAGOTENJ-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.87
Rot. Bonds2

About 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 116796334) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID116796334
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)cc(Br)n2)c1
InChIInChI=1S/C11H11BrN4/c1-7-3-2-4-8(5-7)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyZWFPKDSAGOTENJ-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

6-bromo-2-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 116796336
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 116797046
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 116796989
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 53214520
6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
CID 116797532
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 116796334) is 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2nc(N)cc(Br)n2)c1.
What is the InChIKey of 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZWFPKDSAGOTENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-3-2-4-8(5-7)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(3-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 6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).