3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C10H12ClN3O2 — CID 114582208

IUPAC3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESO=C(CCn1cnc(Cl)cc1=O)NC1CC1
InChIInChI=1S/C10H12ClN3O2/c11-8-5-10(16)14(6-12-8)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyBYZYEOUNCPWIDT-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.57
Rot. Bonds4

About 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114582208) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114582208
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESO=C(CCn1cnc(Cl)cc1=O)NC1CC1
InChIInChI=1S/C10H12ClN3O2/c11-8-5-10(16)14(6-12-8)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyBYZYEOUNCPWIDT-UHFFFAOYSA-N
XLogP0.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Cyclopropylamino)propyl]pyrimidin-4-one
CID 63769700
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
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)-N-cyclopropylpropanamide
CID 114581780
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114581990
3-(4-Chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582025
2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582059
N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
CID 114582086

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114582208) is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is O=C(CCn1cnc(Cl)cc1=O)NC1CC1.
What is the InChIKey of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is BYZYEOUNCPWIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-5-10(16)14(6-12-8)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15).
What are the key properties of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 241.68 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114582208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).