3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

C17H19ClF3N5 — CID 133336273

IUPAC3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)nc(C)n1
InChIInChI=1S/C17H19ClF3N5/c1-10-7-15(24-11(2)23-10)26-5-3-13(4-6-26)25-16-14(18)8-12(9-22-16)17(19,20)21/h7-9,13H,3-6H2,1-2H3,(H,22,25)
InChIKeyVBAIIAOUBHTBPA-UHFFFAOYSA-N
MW385.82 g/mol
LogP4.24
Rot. Bonds3

About 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133336273) has the molecular formula C17H19ClF3N5 and a molecular weight of 385.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133336273
Molecular FormulaC17H19ClF3N5
Molecular Weight385.82 g/mol
Exact Mass385.13
IUPAC Name3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)nc(C)n1
InChIInChI=1S/C17H19ClF3N5/c1-10-7-15(24-11(2)23-10)26-5-3-13(4-6-26)25-16-14(18)8-12(9-22-16)17(19,20)21/h7-9,13H,3-6H2,1-2H3,(H,22,25)
InChIKeyVBAIIAOUBHTBPA-UHFFFAOYSA-N
XLogP4.24
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
CID 133336336
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
1-(2,6-dimethylpyrimidin-4-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 133336093
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 47054431
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 133336273) is 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cc(N2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)nc(C)n1.
What is the InChIKey of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VBAIIAOUBHTBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5/c1-10-7-15(24-11(2)23-10)26-5-3-13(4-6-26)25-16-14(18)8-12(9-22-16)17(19,20)21/h7-9,13H,3-6H2,1-2H3,(H,22,25).
What are the key properties of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 385.82 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133336273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).