N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide

C14H21N3O2S — CID 42739154

IUPACN-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)NC2CC2)n1
InChIInChI=1S/C14H21N3O2S/c1-4-9-8-12(18)17(3)14(16-9)20-11(5-2)13(19)15-10-6-7-10/h8,10-11H,4-7H2,1-3H3,(H,15,19)
InChIKeyLDTUMMMDKQAVID-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.49
Rot. Bonds6

About N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide

N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide (PubChem CID 42739154) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
PubChem CID42739154
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)NC2CC2)n1
InChIInChI=1S/C14H21N3O2S/c1-4-9-8-12(18)17(3)14(16-9)20-11(5-2)13(19)15-10-6-7-10/h8,10-11H,4-7H2,1-3H3,(H,15,19)
InChIKeyLDTUMMMDKQAVID-UHFFFAOYSA-N
XLogP1.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
CID 42739447
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)butanamide
CID 42739155
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 42739159
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide
CID 42739130
6-ethyl-3-methyl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyrimidin-4-one
CID 42739135
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 42739114
2-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one
CID 42739161
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 42739075
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 42739064
6-ethyl-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl]sulfanyl-3-methylpyrimidin-4-one
CID 42739139
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 42739472

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide (CID 42739154) is N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide is CCc1cc(=O)n(C)c(SC(CC)C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide?
The InChIKey is LDTUMMMDKQAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-9-8-12(18)17(3)14(16-9)20-11(5-2)13(19)15-10-6-7-10/h8,10-11H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide?
N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide has a molecular weight of 295.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 42739154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).