3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C10H14ClN3O2 — CID 114581936

IUPAC3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-12-9(15)4-5-14-7(2)13-8(11)6-10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyKOLDZIWWOMUNIV-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.73
Rot. Bonds4

About 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114581936) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114581936
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-12-9(15)4-5-14-7(2)13-8(11)6-10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyKOLDZIWWOMUNIV-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

N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide
CID 67282633
N-ethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 137304332
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanamide
CID 63770272
N-ethyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66340053
3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66341382
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604584
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-cyclopropylpropanamide
CID 113604612
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 114581615

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114581936) is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is KOLDZIWWOMUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-12-9(15)4-5-14-7(2)13-8(11)6-10(14)16/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide 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 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114581936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).