4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide

C10H14ClN3O3 — CID 114585353

IUPAC4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C10H14ClN3O3/c1-12-7(15)4-3-5-14-6-13-9(11)8(17-2)10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyRQAUMYOFNXUVLS-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.43
Rot. Bonds5

About 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide

4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 114585353) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID114585353
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C10H14ClN3O3/c1-12-7(15)4-3-5-14-6-13-9(11)8(17-2)10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyRQAUMYOFNXUVLS-UHFFFAOYSA-N
XLogP0.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
CID 114561776
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114585387
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
6-chloro-5-methoxy-3-prop-2-enylpyrimidin-4-one
CID 114585117
6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114585109
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 114585167
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 114585353) is 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is RQAUMYOFNXUVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-12-7(15)4-3-5-14-6-13-9(11)8(17-2)10(14)16/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 259.69 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114585353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).