5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine

C16H19BrClN3 — CID 66306369

IUPAC5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2Cl)nc(CCC)c1Br
InChIInChI=1S/C16H19BrClN3/c1-3-7-13-14(17)16(19-10-4-2)21-15(20-13)11-8-5-6-9-12(11)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,20,21)
InChIKeyIHYXBQSJBHFMAO-UHFFFAOYSA-N
MW368.71 g/mol
LogP5.33
Rot. Bonds6

About 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine

5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 66306369) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
PubChem CID66306369
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2Cl)nc(CCC)c1Br
InChIInChI=1S/C16H19BrClN3/c1-3-7-13-14(17)16(19-10-4-2)21-15(20-13)11-8-5-6-9-12(11)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,20,21)
InChIKeyIHYXBQSJBHFMAO-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486615
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
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-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine (CID 66306369) is 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2Cl)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is IHYXBQSJBHFMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-3-7-13-14(17)16(19-10-4-2)21-15(20-13)11-8-5-6-9-12(11)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 368.71 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66306369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).