5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C14H13ClF3N5O — CID 137291610

IUPAC5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCN[C@@H](C(F)(F)F)C2)c1Cl
InChIInChI=1S/C14H13ClF3N5O/c15-10-12(23-6-5-20-9(7-23)14(16,17)18)21-11(22-13(10)24)8-1-3-19-4-2-8/h1-4,9,20H,5-7H2,(H,21,22,24)/t9-/m1/s1
InChIKeyRXPBJPLMMGXAAA-SECBINFHSA-N
MW359.74 g/mol
LogP1.83
Rot. Bonds2

About 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137291610) has the molecular formula C14H13ClF3N5O and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137291610
Molecular FormulaC14H13ClF3N5O
Molecular Weight359.74 g/mol
Exact Mass359.08
IUPAC Name5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCN[C@@H](C(F)(F)F)C2)c1Cl
InChIInChI=1S/C14H13ClF3N5O/c15-10-12(23-6-5-20-9(7-23)14(16,17)18)21-11(22-13(10)24)8-1-3-19-4-2-8/h1-4,9,20H,5-7H2,(H,21,22,24)/t9-/m1/s1
InChIKeyRXPBJPLMMGXAAA-SECBINFHSA-N
XLogP1.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[3-(1,1-difluoroethyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291594
5-chloro-4-[(3S)-3-(2-hydroxypropan-2-yl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291672
4-[(3S)-3-tert-butylpiperazin-1-yl]-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291591
5-chloro-4-[(3S)-3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291548
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291463
5-chloro-4-[(3Z)-3-(2-hydroxyethylidene)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 142309363
5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291499
bis(5-chloro-2-(2-fluoro-4-pyridinyl)-4-[2-methyl-5-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one);5-chloro-2-(2-fluoro-4-pyridinyl)-4-[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 158854766
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
5-chloro-4-[(2S)-2-(2-hydroxypropan-2-yl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 146521380
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137289020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137291610) is 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(N2CCN[C@@H](C(F)(F)F)C2)c1Cl.
What is the InChIKey of 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RXPBJPLMMGXAAA-SECBINFHSA-N. The full InChI is InChI=1S/C14H13ClF3N5O/c15-10-12(23-6-5-20-9(7-23)14(16,17)18)21-11(22-13(10)24)8-1-3-19-4-2-8/h1-4,9,20H,5-7H2,(H,21,22,24)/t9-/m1/s1.
What are the key properties of 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 359.74 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137291610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).