6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one

C12H13ClN4O2 — CID 167863896

IUPAC6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one
SMILESCc1coc(C2CCCN2c2cc(Cl)[nH]c(=O)n2)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-6-19-11(14-7)8-3-2-4-17(8)10-5-9(13)15-12(18)16-10/h5-6,8H,2-4H2,1H3,(H,15,16,18)
InChIKeyJMDVDRGYWAJSQT-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.06
Rot. Bonds2

About 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one

6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one (PubChem CID 167863896) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one
PubChem CID167863896
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one
SMILESCc1coc(C2CCCN2c2cc(Cl)[nH]c(=O)n2)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-6-19-11(14-7)8-3-2-4-17(8)10-5-9(13)15-12(18)16-10/h5-6,8H,2-4H2,1H3,(H,15,16,18)
InChIKeyJMDVDRGYWAJSQT-UHFFFAOYSA-N
XLogP2.06
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 166402830
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 130653621
4-[3-(2-aminoethyl)pyrrolidin-1-yl]-6-chloro-1H-pyrimidin-2-one
CID 167815341
CID 59268978
CID 59268978
2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 167978249
3-[(4-bromophenyl)methyl]-5-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75370572
4-methyl-6-[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 110272281
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 99695577
7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136749351
2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136697556
2-[3-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]ethanamine
CID 83884523
1-(2-chloro-6-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324380

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one (CID 167863896) is 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one is Cc1coc(C2CCCN2c2cc(Cl)[nH]c(=O)n2)n1.
What is the InChIKey of 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one?
The InChIKey is JMDVDRGYWAJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-6-19-11(14-7)8-3-2-4-17(8)10-5-9(13)15-12(18)16-10/h5-6,8H,2-4H2,1H3,(H,15,16,18).
What are the key properties of 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one?
6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one has a molecular weight of 280.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 167863896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).