2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C10H12ClN3O2 — CID 114582349

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-6(10(16)13-7-2-3-7)14-5-12-8(11)4-9(14)15/h4-7H,2-3H2,1H3,(H,13,16)
InChIKeyIARZQTHADCSSPA-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.74
Rot. Bonds3

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114582349) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114582349
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-6(10(16)13-7-2-3-7)14-5-12-8(11)4-9(14)15/h4-7H,2-3H2,1H3,(H,13,16)
InChIKeyIARZQTHADCSSPA-UHFFFAOYSA-N
XLogP0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
CID 114582251
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114585409
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
(2S)-2-(5-bromo-2-oxo-1-pyridinyl)-N-cyclopentylpropanamide
CID 8891311
2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 133434322
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
N-cyclopropyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395130
N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
CID 79411085
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25478294
(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97278500
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97191226

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114582349) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is IARZQTHADCSSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6(10(16)13-7-2-3-7)14-5-12-8(11)4-9(14)15/h4-7H,2-3H2,1H3,(H,13,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 241.68 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114582349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).