6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one

C10H13ClN4O2 — CID 114581849

IUPAC6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCN1CCNC1=O
InChIInChI=1S/C10H13ClN4O2/c1-7-13-8(11)6-9(16)15(7)5-4-14-3-2-12-10(14)17/h6H,2-5H2,1H3,(H,12,17)
InChIKeyHKABPPFHHXYYEU-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.23
Rot. Bonds3

About 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one

6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 114581849) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID114581849
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCN1CCNC1=O
InChIInChI=1S/C10H13ClN4O2/c1-7-13-8(11)6-9(16)15(7)5-4-14-3-2-12-10(14)17/h6H,2-5H2,1H3,(H,12,17)
InChIKeyHKABPPFHHXYYEU-UHFFFAOYSA-N
XLogP0.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
CID 12778105
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581613
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114581674
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114581884
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 114581916
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 114581972
6-Chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114582280
2-(aminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136316791
4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one
CID 136695438

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (CID 114581849) is 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCN1CCNC1=O.
What is the InChIKey of 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is HKABPPFHHXYYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-7-13-8(11)6-9(16)15(7)5-4-14-3-2-12-10(14)17/h6H,2-5H2,1H3,(H,12,17).
What are the key properties of 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 256.69 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114581849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).