5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

C11H14ClF3N4 — CID 80847602

IUPAC5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H14ClF3N4/c1-16-10-17-6-8(12)9(18-10)19-4-2-7(3-5-19)11(13,14)15/h6-7H,2-5H2,1H3,(H,16,17,18)
InChIKeyLPTGOCDAIGCXFD-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 80847602) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID80847602
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H14ClF3N4/c1-16-10-17-6-8(12)9(18-10)19-4-2-7(3-5-19)11(13,14)15/h6-7H,2-5H2,1H3,(H,16,17,18)
InChIKeyLPTGOCDAIGCXFD-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405
5-chloro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80804460
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80834036
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (CID 80847602) is 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is CNc1ncc(Cl)c(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is LPTGOCDAIGCXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c1-16-10-17-6-8(12)9(18-10)19-4-2-7(3-5-19)11(13,14)15/h6-7H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 294.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80847602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).