5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine

C16H17BrClN3 — CID 58299589

IUPAC5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine
SMILESClc1ncc(Br)c(N(c2ccccc2)C2CCCCC2)n1
InChIInChI=1S/C16H17BrClN3/c17-14-11-19-16(18)20-15(14)21(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyMQBPHTNPNADQMQ-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.36
Rot. Bonds3

About 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine

5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine (PubChem CID 58299589) has the molecular formula C16H17BrClN3 and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine
PubChem CID58299589
Molecular FormulaC16H17BrClN3
Molecular Weight366.69 g/mol
Exact Mass365.03
IUPAC Name5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine
SMILESClc1ncc(Br)c(N(c2ccccc2)C2CCCCC2)n1
InChIInChI=1S/C16H17BrClN3/c17-14-11-19-16(18)20-15(14)21(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyMQBPHTNPNADQMQ-UHFFFAOYSA-N
XLogP5.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2-N,4-N-bis(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine
CID 1109437
Bisanilinopyrimidine, 6l
CID 70702141
1-N-(5-bromo-2-chloropyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 1838616
2-(4-Phenylpiperazin-1-yl)pyrimidine
CID 5190582
N2,N4-bis(3-aminophenyl)-5-fluoro-2,4-primidinediamine
CID 10215022
5-bromo-2-N-phenyl-4-N-prop-2-ynylpyrimidine-2,4-diamine
CID 85648269
5-(4-Phenyl-1-piperazinyl)-2,4-pyrimidinediamine
CID 137491959
N-Methyl-N-phenyl-2-pyrimidinamine
CID 817457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine (CID 58299589) is 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine is Clc1ncc(Br)c(N(c2ccccc2)C2CCCCC2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine?
The InChIKey is MQBPHTNPNADQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3/c17-14-11-19-16(18)20-15(14)21(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2.
What are the key properties of 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine?
5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine has a molecular weight of 366.69 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclohexyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 58299589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).