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

C14H20ClN3O3 — CID 114585131

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C14H20ClN3O3/c1-21-12-13(15)16-9-18(14(12)20)8-11(19)17-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H,17,19)
InChIKeyRWTUIDBGWNVPPV-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.74
Rot. Bonds4

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

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (PubChem CID 114585131) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
PubChem CID114585131
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C14H20ClN3O3/c1-21-12-13(15)16-9-18(14(12)20)8-11(19)17-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H,17,19)
InChIKeyRWTUIDBGWNVPPV-UHFFFAOYSA-N
XLogP1.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.74
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)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (CID 114585131) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide is COc1c(Cl)ncn(CC(=O)NC2CCCCCC2)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The InChIKey is RWTUIDBGWNVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-21-12-13(15)16-9-18(14(12)20)8-11(19)17-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H,17,19).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide has a molecular weight of 313.79 g/mol, XLogP of 1.74, 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-cycloheptylacetamide is sourced from PubChem (CID 114585131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).