N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

C17H20ClFN4 — CID 112864331

IUPACN-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C17H20ClFN4/c1-2-13-5-3-4-8-23(13)17-10-16(20-11-21-17)22-12-6-7-15(19)14(18)9-12/h6-7,9-11,13H,2-5,8H2,1H3,(H,20,21,22)
InChIKeyBCPBTOIOQWTOQI-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.78
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112864331) has the molecular formula C17H20ClFN4 and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112864331
Molecular FormulaC17H20ClFN4
Molecular Weight334.83 g/mol
Exact Mass334.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C17H20ClFN4/c1-2-13-5-3-4-8-23(13)17-10-16(20-11-21-17)22-12-6-7-15(19)14(18)9-12/h6-7,9-11,13H,2-5,8H2,1H3,(H,20,21,22)
InChIKeyBCPBTOIOQWTOQI-UHFFFAOYSA-N
XLogP4.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864365
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175643
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (CID 112864331) is N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is CCC1CCCCN1c1cc(Nc2ccc(F)c(Cl)c2)ncn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is BCPBTOIOQWTOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4/c1-2-13-5-3-4-8-23(13)17-10-16(20-11-21-17)22-12-6-7-15(19)14(18)9-12/h6-7,9-11,13H,2-5,8H2,1H3,(H,20,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 334.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112864331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).