2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide

C10H14ClN3O2 — CID 114582059

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-4-12-10(16)7(2)14-6-13-8(11)5-9(14)15/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyURPLQURBKIQMBW-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.98
Rot. Bonds4

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide (PubChem CID 114582059) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
PubChem CID114582059
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-3-4-12-10(16)7(2)14-6-13-8(11)5-9(14)15/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyURPLQURBKIQMBW-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
5-(Methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 54078362
N-(6-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249193
(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
N-(1-methyl-6-oxopyrimidin-5-yl)propanamide
CID 170387111
N-cyclopropyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534907
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Ethylamino)propyl]pyrimidin-4-one
CID 63768483
N-butyl-2-(6-oxopyrimidin-1-yl)acetamide
CID 95921861
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
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide (CID 114582059) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The InChIKey is URPLQURBKIQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-4-12-10(16)7(2)14-6-13-8(11)5-9(14)15/h5-7H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide has a molecular weight of 243.69 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 114582059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).