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

C10H14ClN3O2 — CID 114581972

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-4-12-9(15)6-14-7(2)13-8(11)5-10(14)16/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyVNBKSTVVQNADLR-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.73
Rot. Bonds4

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 114581972) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
PubChem CID114581972
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-4-12-9(15)6-14-7(2)13-8(11)5-10(14)16/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyVNBKSTVVQNADLR-UHFFFAOYSA-N
XLogP0.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
6-oxo-N-propyl-1H-pyrimidine-2-carboxamide
CID 172236194
N-butyl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999715
N-(2-methylpropyl)-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999735
N-butan-2-yl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999736
4-Amino-6-oxo-1-propylpyrimidine-2-carboxamide
CID 173128226
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66339811
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide (CID 114581972) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is VNBKSTVVQNADLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-4-12-9(15)6-14-7(2)13-8(11)5-10(14)16/h5H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 243.69 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 114581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).