3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C10H13Cl2N3O2 — CID 114583283

IUPAC3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-6(2)14-7(16)3-4-15-5-13-9(12)8(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyCLNJEPPKRIOFOV-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.46
Rot. Bonds4

About 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 114583283) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID114583283
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-6(2)14-7(16)3-4-15-5-13-9(12)8(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyCLNJEPPKRIOFOV-UHFFFAOYSA-N
XLogP1.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582208
3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114582325
3-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114582377
3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114582429
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114582756
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114582805
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114582857
3-(4,5-Dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582894
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582928
N-butan-2-yl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582954

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 114583283) is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is CLNJEPPKRIOFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-6(2)14-7(16)3-4-15-5-13-9(12)8(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 278.14 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114583283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).