4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

C13H14ClF3N6 — CID 133450762

IUPAC4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C13H14ClF3N6/c14-10-6-11(20-12(18)19-10)22-4-1-2-8(7-22)23-5-3-9(21-23)13(15,16)17/h3,5-6,8H,1-2,4,7H2,(H2,18,19,20)
InChIKeyDYYZDVUZKMJDSF-UHFFFAOYSA-N
MW346.74 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 133450762) has the molecular formula C13H14ClF3N6 and a molecular weight of 346.74 g/mol. Its IUPAC name is 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID133450762
Molecular FormulaC13H14ClF3N6
Molecular Weight346.74 g/mol
Exact Mass346.09
IUPAC Name4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C13H14ClF3N6/c14-10-6-11(20-12(18)19-10)22-4-1-2-8(7-22)23-5-3-9(21-23)13(15,16)17/h3,5-6,8H,1-2,4,7H2,(H2,18,19,20)
InChIKeyDYYZDVUZKMJDSF-UHFFFAOYSA-N
XLogP2.77
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,3-difluoropiperidin-1-yl)-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidine
CID 50977333
5-chloro-6-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-4-amine
CID 100651053
4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
CID 125137365
5-Fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 138013502
1-[1-[2-[(2R)-butan-2-yl]-6-methylpyrimidin-4-yl]piperidin-4-yl]-5-(trifluoromethyl)pyrazol-4-amine
CID 177664876
2-Chloro-6-[3-(trifluoromethyl)-1h-pyrazol-1-yl]pyrimidine
CID 21267743
4-chloro-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidine
CID 21267748
2-(3-Fluoropyrazol-1-yl)-4-methyl-6-piperidin-1-ylpyrimidine
CID 57806048
4,6-Dichloro-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282694
4-N-methyl-2-N-[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 69281597
4-N-methyl-2-N-[3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 69281601
2-[3-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 70843534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (CID 133450762) is 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is DYYZDVUZKMJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N6/c14-10-6-11(20-12(18)19-10)22-4-1-2-8(7-22)23-5-3-9(21-23)13(15,16)17/h3,5-6,8H,1-2,4,7H2,(H2,18,19,20).
What are the key properties of 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 346.74 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133450762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).