4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H19BrN4 — CID 80994250

IUPAC4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(Br)cc1Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H19BrN4/c1-8(2)14-19-13(17)10(4)15(20-14)18-12-7-11(16)6-5-9(12)3/h5-8H,1-4H3,(H3,17,18,19,20)
InChIKeyJOKJKDUTSHPSFT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.31
Rot. Bonds3

About 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80994250) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80994250
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(Br)cc1Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H19BrN4/c1-8(2)14-19-13(17)10(4)15(20-14)18-12-7-11(16)6-5-9(12)3/h5-8H,1-4H3,(H3,17,18,19,20)
InChIKeyJOKJKDUTSHPSFT-UHFFFAOYSA-N
XLogP4.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80994250) is 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ccc(Br)cc1Nc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is JOKJKDUTSHPSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-8(2)14-19-13(17)10(4)15(20-14)18-12-7-11(16)6-5-9(12)3/h5-8H,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80994250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).