4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C11H14ClF3N4 — CID 90341292

IUPAC4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC[C@H](Nc2ncc(C(F)(F)F)c(Cl)n2)C1
InChIInChI=1S/C11H14ClF3N4/c1-19-4-2-3-7(6-19)17-10-16-5-8(9(12)18-10)11(13,14)15/h5,7H,2-4,6H2,1H3,(H,16,17,18)/t7-/m0/s1
InChIKeyZTVBXIWLZXYPFF-ZETCQYMHSA-N
MW294.71 g/mol
LogP2.65
Rot. Bonds2

About 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 90341292) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID90341292
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC[C@H](Nc2ncc(C(F)(F)F)c(Cl)n2)C1
InChIInChI=1S/C11H14ClF3N4/c1-19-4-2-3-7(6-19)17-10-16-5-8(9(12)18-10)11(13,14)15/h5,7H,2-4,6H2,1H3,(H,16,17,18)/t7-/m0/s1
InChIKeyZTVBXIWLZXYPFF-ZETCQYMHSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 90341292) is 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CN1CCC[C@H](Nc2ncc(C(F)(F)F)c(Cl)n2)C1.
What is the InChIKey of 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZTVBXIWLZXYPFF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c1-19-4-2-3-7(6-19)17-10-16-5-8(9(12)18-10)11(13,14)15/h5,7H,2-4,6H2,1H3,(H,16,17,18)/t7-/m0/s1.
What are the key properties of 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 294.71 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 90341292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).