2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide

C18H30N4O3S — CID 42739114

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCCC(Sc1nc(CC)cc(=O)n1C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H30N4O3S/c1-4-6-15(17(24)19-7-8-22-9-11-25-12-10-22)26-18-20-14(5-2)13-16(23)21(18)3/h13,15H,4-12H2,1-3H3,(H,19,24)
InChIKeyVZSZTHMTFRYCRV-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.05
Rot. Bonds9

About 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 42739114) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID42739114
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCCC(Sc1nc(CC)cc(=O)n1C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H30N4O3S/c1-4-6-15(17(24)19-7-8-22-9-11-25-12-10-22)26-18-20-14(5-2)13-16(23)21(18)3/h13,15H,4-12H2,1-3H3,(H,19,24)
InChIKeyVZSZTHMTFRYCRV-UHFFFAOYSA-N
XLogP1.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 42739010
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-methoxyethyl)butanamide
CID 42739155
N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 42739075
3-[1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42739118
3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42824167
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 42739114) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide is CCCC(Sc1nc(CC)cc(=O)n1C)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is VZSZTHMTFRYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-4-6-15(17(24)19-7-8-22-9-11-25-12-10-22)26-18-20-14(5-2)13-16(23)21(18)3/h13,15H,4-12H2,1-3H3,(H,19,24).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 382.53 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 42739114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).