4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine

C13H12F3N5 — CID 56859877

IUPAC4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cncnc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)11-5-10(9-6-17-8-18-7-9)19-12(20-11)21-3-1-2-4-21/h5-8H,1-4H2
InChIKeyAQMMCEGHQGERHD-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.55
Rot. Bonds2

About 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine

4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 56859877) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID56859877
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cncnc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)11-5-10(9-6-17-8-18-7-9)19-12(20-11)21-3-1-2-4-21/h5-8H,1-4H2
InChIKeyAQMMCEGHQGERHD-UHFFFAOYSA-N
XLogP2.55
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824519
2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 155432779
[4-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 166719469
1-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824502
(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine
CID 125441360
4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 19621605
4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 44821198
(4R)-4-(hydroxymethyl)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]azepan-4-ol
CID 95712864
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198
2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carbaldehyde
CID 122476888
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19616664

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine (CID 56859877) is 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2cncnc2)nc(N2CCCC2)n1.
What is the InChIKey of 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is AQMMCEGHQGERHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)11-5-10(9-6-17-8-18-7-9)19-12(20-11)21-3-1-2-4-21/h5-8H,1-4H2.
What are the key properties of 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 295.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56859877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).