3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H11Cl2N3O2 — CID 114583185

IUPAC3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-13(2)6(15)3-4-14-5-12-8(11)7(10)9(14)16/h5H,3-4H2,1-2H3
InChIKeyHEAIUFBHDRTABA-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.03
Rot. Bonds3

About 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114583185) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114583185
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-13(2)6(15)3-4-14-5-12-8(11)7(10)9(14)16/h5H,3-4H2,1-2H3
InChIKeyHEAIUFBHDRTABA-UHFFFAOYSA-N
XLogP1.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 114583127
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114583185) is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is HEAIUFBHDRTABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c1-13(2)6(15)3-4-14-5-12-8(11)7(10)9(14)16/h5H,3-4H2,1-2H3.
What are the key properties of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 264.11 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 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,N-dimethylpropanamide is sourced from PubChem (CID 114583185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).