2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide

C25H29N3O2S — CID 42739469

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
SMILESCCC(Sc1nc(C)cc(=O)n1C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O2S/c1-4-22(31-25-27-18(2)17-23(29)28(25)3)24(30)26-16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,21-22H,4,15-16H2,1-3H3,(H,26,30)
InChIKeyDIENXCKUIHUYEB-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.30
Rot. Bonds9

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide (PubChem CID 42739469) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
PubChem CID42739469
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
SMILESCCC(Sc1nc(C)cc(=O)n1C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O2S/c1-4-22(31-25-27-18(2)17-23(29)28(25)3)24(30)26-16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,21-22H,4,15-16H2,1-3H3,(H,26,30)
InChIKeyDIENXCKUIHUYEB-UHFFFAOYSA-N
XLogP4.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 42739472
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 42739444
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-(furan-2-ylmethyl)butanamide
CID 42739130
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-(1-phenylethyl)propanamide
CID 42739064
5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
CID 42739353
N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-propylpentanamide
CID 42738677
ethyl 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739465

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide (CID 42739469) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide is CCC(Sc1nc(C)cc(=O)n1C)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide?
The InChIKey is DIENXCKUIHUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-4-22(31-25-27-18(2)17-23(29)28(25)3)24(30)26-16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,21-22H,4,15-16H2,1-3H3,(H,26,30).
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide has a molecular weight of 435.59 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide is sourced from PubChem (CID 42739469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).