4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C13H15ClF3N3 — CID 80950703

IUPAC4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C13H15ClF3N3/c14-10-7-11(19-12(18-10)8-1-2-8)20-5-3-9(4-6-20)13(15,16)17/h7-9H,1-6H2
InChIKeyQNEVUDHLBMNCGK-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 80950703) has the molecular formula C13H15ClF3N3 and a molecular weight of 305.73 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID80950703
Molecular FormulaC13H15ClF3N3
Molecular Weight305.73 g/mol
Exact Mass305.09
IUPAC Name4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C13H15ClF3N3/c14-10-7-11(19-12(18-10)8-1-2-8)20-5-3-9(4-6-20)13(15,16)17/h7-9H,1-6H2
InChIKeyQNEVUDHLBMNCGK-UHFFFAOYSA-N
XLogP3.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 79033428
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
CID 175640206
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 114562711
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
CID 133422205
N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133418654
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
CID 80951742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 80950703) is 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)C1CCN(c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is QNEVUDHLBMNCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3/c14-10-7-11(19-12(18-10)8-1-2-8)20-5-3-9(4-6-20)13(15,16)17/h7-9H,1-6H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 305.73 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 80950703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).