N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

C17H18ClF3N4 — CID 112910130

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H18ClF3N4/c1-11-9-15(25-7-3-2-4-8-25)24-16(22-11)23-12-5-6-14(18)13(10-12)17(19,20)21/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23,24)
InChIKeyTXAGFRFKNDKREP-UHFFFAOYSA-N
MW370.81 g/mol
LogP5.19
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112910130) has the molecular formula C17H18ClF3N4 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID112910130
Molecular FormulaC17H18ClF3N4
Molecular Weight370.81 g/mol
Exact Mass370.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H18ClF3N4/c1-11-9-15(25-7-3-2-4-8-25)24-16(22-11)23-12-5-6-14(18)13(10-12)17(19,20)21/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23,24)
InChIKeyTXAGFRFKNDKREP-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-3-(trifluoromethyl)phenyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913929
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910131
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926975
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900912
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906981
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593
2-chloro-4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032340
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121032489

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (CID 112910130) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is Cc1cc(N2CCCCC2)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is TXAGFRFKNDKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4/c1-11-9-15(25-7-3-2-4-8-25)24-16(22-11)23-12-5-6-14(18)13(10-12)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-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
N-[4-chloro-3-(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-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112910130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).