4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine

C15H19F2N5 — CID 171315672

IUPAC4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C15H19F2N5/c1-10-11(9-21(2)20-10)12-8-13(14(16)17)19-15(18-12)22-6-4-3-5-7-22/h8-9,14H,3-7H2,1-2H3
InChIKeyCYUFIIXPWFLRRD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.11
Rot. Bonds3

About 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine

4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine (PubChem CID 171315672) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine
PubChem CID171315672
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C15H19F2N5/c1-10-11(9-21(2)20-10)12-8-13(14(16)17)19-15(18-12)22-6-4-3-5-7-22/h8-9,14H,3-7H2,1-2H3
InChIKeyCYUFIIXPWFLRRD-UHFFFAOYSA-N
XLogP3.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-N-(3-methylbutyl)pyrimidin-2-amine
CID 44824494
1-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824502
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 51852593
N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821433
ethyl 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66503068
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
4-(1,3-dimethylpyrazol-4-yl)-6-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
CID 175165632
4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 44824492
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
CID 46986094

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine (CID 171315672) is 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine is Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine?
The InChIKey is CYUFIIXPWFLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5/c1-10-11(9-21(2)20-10)12-8-13(14(16)17)19-15(18-12)22-6-4-3-5-7-22/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine?
4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine has a molecular weight of 307.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 171315672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).