4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C15H19BrN4 — CID 107580847

IUPAC4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cc(C)cc(Br)c2)c1C(C)C
InChIInChI=1S/C15H19BrN4/c1-9(2)13-14(17-4)18-8-19-15(13)20-12-6-10(3)5-11(16)7-12/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyUVZBMSDLSAWEBJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.46
Rot. Bonds4

About 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107580847) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107580847
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cc(C)cc(Br)c2)c1C(C)C
InChIInChI=1S/C15H19BrN4/c1-9(2)13-14(17-4)18-8-19-15(13)20-12-6-10(3)5-11(16)7-12/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyUVZBMSDLSAWEBJ-UHFFFAOYSA-N
XLogP4.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 107580847) is 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(Nc2cc(C)cc(Br)c2)c1C(C)C.
What is the InChIKey of 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UVZBMSDLSAWEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-9(2)13-14(17-4)18-8-19-15(13)20-12-6-10(3)5-11(16)7-12/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107580847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).