4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

C16H19BrN4 — CID 107580689

IUPAC4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2nc(C3CC3)nc(N)c2C)cc(C)c1Br
InChIInChI=1S/C16H19BrN4/c1-8-6-12(7-9(2)13(8)17)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)
InChIKeyUHAXUENYXLAESC-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.37
Rot. Bonds3

About 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 107580689) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID107580689
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2nc(C3CC3)nc(N)c2C)cc(C)c1Br
InChIInChI=1S/C16H19BrN4/c1-8-6-12(7-9(2)13(8)17)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)
InChIKeyUHAXUENYXLAESC-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 107580689) is 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is Cc1cc(Nc2nc(C3CC3)nc(N)c2C)cc(C)c1Br.
What is the InChIKey of 4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is UHAXUENYXLAESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-8-6-12(7-9(2)13(8)17)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-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-(4-bromo-3,5-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-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).