6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

C19H19BrN4 — CID 112872117

IUPAC6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Br)cc2)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H19BrN4/c1-13(15-6-4-3-5-7-15)21-18-12-19(23-14(2)22-18)24-17-10-8-16(20)9-11-17/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyXPCUJCDVGCCXJV-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.46
Rot. Bonds5

About 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112872117) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112872117
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Br)cc2)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H19BrN4/c1-13(15-6-4-3-5-7-15)21-18-12-19(23-14(2)22-18)24-17-10-8-16(20)9-11-17/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyXPCUJCDVGCCXJV-UHFFFAOYSA-N
XLogP5.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890739
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112872117) is 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccc(Br)cc2)cc(NC(C)c2ccccc2)n1.
What is the InChIKey of 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is XPCUJCDVGCCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-13(15-6-4-3-5-7-15)21-18-12-19(23-14(2)22-18)24-17-10-8-16(20)9-11-17/h3-13H,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).