N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

C17H18ClF3N4 — CID 112910131

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C17H18ClF3N4/c1-11-9-15(25-7-3-2-4-8-25)24-16(22-11)23-14-6-5-12(18)10-13(14)17(19,20)21/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23,24)
InChIKeyKSDDAMVBHHWWCR-UHFFFAOYSA-N
MW370.81 g/mol
LogP5.19
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112910131) has the molecular formula C17H18ClF3N4 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID112910131
Molecular FormulaC17H18ClF3N4
Molecular Weight370.81 g/mol
Exact Mass370.12
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C17H18ClF3N4/c1-11-9-15(25-7-3-2-4-8-25)24-16(22-11)23-14-6-5-12(18)10-13(14)17(19,20)21/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23,24)
InChIKeyKSDDAMVBHHWWCR-UHFFFAOYSA-N
XLogP5.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.81
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112910147
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910130
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
4-[6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914587
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906982
1-[4-[2-(2,4-dichloroanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914949
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960456
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913929

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (CID 112910131) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is Cc1cc(N2CCCCC2)nc(Nc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is KSDDAMVBHHWWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4/c1-11-9-15(25-7-3-2-4-8-25)24-16(22-11)23-14-6-5-12(18)10-13(14)17(19,20)21/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 370.81 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112910131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).