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

C10H13Cl2N3O2 — CID 114582981

IUPAC4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-14(2)7(16)4-3-5-15-6-13-9(12)8(11)10(15)17/h6H,3-5H2,1-2H3
InChIKeyPYGDOMXIZNQHPY-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.42
Rot. Bonds4

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

4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide (PubChem CID 114582981) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
PubChem CID114582981
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-14(2)7(16)4-3-5-15-6-13-9(12)8(11)10(15)17/h6H,3-5H2,1-2H3
InChIKeyPYGDOMXIZNQHPY-UHFFFAOYSA-N
XLogP1.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 114582113
5,6-Dichloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582889
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582935
5,6-Dichloro-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 114582952
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582966
5,6-Dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582970
5,6-Dichloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114583020
5,6-Dichloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114583025
5,6-Dichloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
CID 114583035

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide (CID 114582981) is 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The InChIKey is PYGDOMXIZNQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-14(2)7(16)4-3-5-15-6-13-9(12)8(11)10(15)17/h6H,3-5H2,1-2H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide has a molecular weight of 278.14 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 114582981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).