5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine

C14H15BrClN3 — CID 66304892

IUPAC5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(Cl)c2)nc(C)c1Br
InChIInChI=1S/C14H15BrClN3/c1-3-7-17-14-12(15)9(2)18-13(19-14)10-5-4-6-11(16)8-10/h4-6,8H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyKQQQJMLACWGCNP-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.69
Rot. Bonds4

About 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66304892) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66304892
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(Cl)c2)nc(C)c1Br
InChIInChI=1S/C14H15BrClN3/c1-3-7-17-14-12(15)9(2)18-13(19-14)10-5-4-6-11(16)8-10/h4-6,8H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyKQQQJMLACWGCNP-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66295533
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 66307616
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106849549
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486280
2-(3-chlorophenyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472544
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 66304892) is 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc(Cl)c2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is KQQQJMLACWGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-3-7-17-14-12(15)9(2)18-13(19-14)10-5-4-6-11(16)8-10/h4-6,8H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).