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

C15H17BrClN3 — CID 66306558

IUPAC5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Cl)nc(NCC)c1Br
InChIInChI=1S/C15H17BrClN3/c1-3-7-12-13(16)15(18-4-2)20-14(19-12)10-8-5-6-9-11(10)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyGKXBXYUHUCYIGR-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.94
Rot. Bonds5

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

5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 66306558) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID66306558
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Cl)nc(NCC)c1Br
InChIInChI=1S/C15H17BrClN3/c1-3-7-12-13(16)15(18-4-2)20-14(19-12)10-8-5-6-9-11(10)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyGKXBXYUHUCYIGR-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (CID 66306558) is 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2Cl)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is GKXBXYUHUCYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-7-12-13(16)15(18-4-2)20-14(19-12)10-8-5-6-9-11(10)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.94, 5 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-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).