2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C11H14ClN3O3 — CID 114585409

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)NC2CC2)c1=O
InChIInChI=1S/C11H14ClN3O3/c1-6(10(16)14-7-3-4-7)15-5-13-9(12)8(18-2)11(15)17/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyLFTWKQKKGKEMFV-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.74
Rot. Bonds4

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114585409) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114585409
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)NC2CC2)c1=O
InChIInChI=1S/C11H14ClN3O3/c1-6(10(16)14-7-3-4-7)15-5-13-9(12)8(18-2)11(15)17/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyLFTWKQKKGKEMFV-UHFFFAOYSA-N
XLogP0.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114585430
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585181
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582349
N-cyclopropyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395130
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583580
methyl 2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
CID 97209451
methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
CID 97209450
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114584085
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one
CID 114585153
2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
CID 55048151

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114585409) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is COc1c(Cl)ncn(C(C)C(=O)NC2CC2)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is LFTWKQKKGKEMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-6(10(16)14-7-3-4-7)15-5-13-9(12)8(18-2)11(15)17/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 271.70 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114585409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).