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

C8H10ClN3O3 — CID 114585138

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide
SMILESCOc1c(Cl)ncn(C(C)C(N)=O)c1=O
InChIInChI=1S/C8H10ClN3O3/c1-4(7(10)13)12-3-11-6(9)5(15-2)8(12)14/h3-4H,1-2H3,(H2,10,13)
InChIKeyCQRPPHIWCDBJFH-UHFFFAOYSA-N
MW231.64 g/mol
LogP-0.05
Rot. Bonds3

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

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114585138) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide
PubChem CID114585138
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide
SMILESCOc1c(Cl)ncn(C(C)C(N)=O)c1=O
InChIInChI=1S/C8H10ClN3O3/c1-4(7(10)13)12-3-11-6(9)5(15-2)8(12)14/h3-4H,1-2H3,(H2,10,13)
InChIKeyCQRPPHIWCDBJFH-UHFFFAOYSA-N
XLogP-0.05
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide (CID 114585138) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide is COc1c(Cl)ncn(C(C)C(N)=O)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is CQRPPHIWCDBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-4(7(10)13)12-3-11-6(9)5(15-2)8(12)14/h3-4H,1-2H3,(H2,10,13).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 231.64 g/mol, XLogP of -0.05, 3 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)propanamide is sourced from PubChem (CID 114585138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).