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

C11H16ClN3O2 — CID 114584374

IUPAC4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCCc1nc(Cl)cc(=O)n1CCCC(=O)NC
InChIInChI=1S/C11H16ClN3O2/c1-3-9-14-8(12)7-11(17)15(9)6-4-5-10(16)13-2/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyINIRTBLMHKFVBA-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.99
Rot. Bonds5

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

4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 114584374) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID114584374
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCCc1nc(Cl)cc(=O)n1CCCC(=O)NC
InChIInChI=1S/C11H16ClN3O2/c1-3-9-14-8(12)7-11(17)15(9)6-4-5-10(16)13-2/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyINIRTBLMHKFVBA-UHFFFAOYSA-N
XLogP0.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.99
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-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 114584374) is 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide is CCc1nc(Cl)cc(=O)n1CCCC(=O)NC.
What is the InChIKey of 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is INIRTBLMHKFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-9-14-8(12)7-11(17)15(9)6-4-5-10(16)13-2/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 257.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114584374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).