4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

C16H19BrN4 — CID 80982498

IUPAC4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1cc(Br)cc(C)c1Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C16H19BrN4/c1-8-6-12(17)7-9(2)13(8)19-15-10(3)14(18)20-16(21-15)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H3,18,19,20,21)
InChIKeyDWNDGGAUEDRDFQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.37
Rot. Bonds3

About 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80982498) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID80982498
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1cc(Br)cc(C)c1Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C16H19BrN4/c1-8-6-12(17)7-9(2)13(8)19-15-10(3)14(18)20-16(21-15)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H3,18,19,20,21)
InChIKeyDWNDGGAUEDRDFQ-UHFFFAOYSA-N
XLogP4.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982612
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107371117
2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107604844
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80982222
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 80982498) is 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is Cc1cc(Br)cc(C)c1Nc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is DWNDGGAUEDRDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-8-6-12(17)7-9(2)13(8)19-15-10(3)14(18)20-16(21-15)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 347.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).