2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide

C9H13ClN4O2 — CID 114582839

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-2-3-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeyLJVLHYQWXJKOBL-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.01
Rot. Bonds4

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 114582839) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide
PubChem CID114582839
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-2-3-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeyLJVLHYQWXJKOBL-UHFFFAOYSA-N
XLogP0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide (CID 114582839) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is LJVLHYQWXJKOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-2-3-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 244.68 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 114582839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).