4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile

C16H19F3N4 — CID 145433346

IUPAC4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2cc(N3CCCC3)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)15-21-13(12-5-3-11(10-20)4-6-12)9-14(22-15)23-7-1-2-8-23/h9,11-12H,1-8H2
InChIKeySRTPRQHBYXEWIO-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.89
Rot. Bonds2

About 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile

4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 145433346) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile
PubChem CID145433346
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2cc(N3CCCC3)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)15-21-13(12-5-3-11(10-20)4-6-12)9-14(22-15)23-7-1-2-8-23/h9,11-12H,1-8H2
InChIKeySRTPRQHBYXEWIO-UHFFFAOYSA-N
XLogP3.89
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cycloheptyl-6-(3-Piperidin-1-Ylpropyl)pyrimidine-2-Carbonitrile
CID 11669355
4-Cyclohexyl-6-propylpyrimidine-2-carbonitrile
CID 11622731
N2,N4-Dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25130899
(4S)-N,N-dimethyl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]azepan-4-amine
CID 95711651
[4-[6-Pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexyl]methanol
CID 145433457
4-(3,4-Dimethylcyclopentyl)-6-[4-(2,4-dimethyl-3,4-dihydropyrazol-5-yl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 174339530
2-Cyclohexyl-4,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine
CID 176747378
1-[6-isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-N,N-dimethyl-4-azepanamine
CID 56887860
(3aR*,7aS*)-2-[6-isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56909813
2-Methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
CID 83851206
(4R)-N,N-dimethyl-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]azepan-4-amine
CID 95711652
6-cyclopentyl-N-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 104243067

Frequently Asked Questions

What is the IUPAC name of 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile (CID 145433346) is 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile is N#CC1CCC(c2cc(N3CCCC3)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is SRTPRQHBYXEWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c17-16(18,19)15-21-13(12-5-3-11(10-20)4-6-12)9-14(22-15)23-7-1-2-8-23/h9,11-12H,1-8H2.
What are the key properties of 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile?
4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 324.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 145433346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).