4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide

C10H14ClN3O2 — CID 114581852

IUPAC4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-7-13-8(11)6-10(16)14(7)5-3-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyMXUSXMDCHAUAPS-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.73
Rot. Bonds4

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

4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 114581852) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID114581852
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-7-13-8(11)6-10(16)14(7)5-3-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyMXUSXMDCHAUAPS-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 114581852) is 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is MXUSXMDCHAUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7-13-8(11)6-10(16)14(7)5-3-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 243.69 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114581852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).