N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide

C15H25N3O2S — CID 42739350

IUPACN-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
SMILESCCC(C)NC(=O)CCCCSc1nc(C)cc(=O)n1C
InChIInChI=1S/C15H25N3O2S/c1-5-11(2)16-13(19)8-6-7-9-21-15-17-12(3)10-14(20)18(15)4/h10-11H,5-9H2,1-4H3,(H,16,19)
InChIKeyORQLPGAHBKZBIO-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.27
Rot. Bonds8

About N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide

N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide (PubChem CID 42739350) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
PubChem CID42739350
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
SMILESCCC(C)NC(=O)CCCCSc1nc(C)cc(=O)n1C
InChIInChI=1S/C15H25N3O2S/c1-5-11(2)16-13(19)8-6-7-9-21-15-17-12(3)10-14(20)18(15)4/h10-11H,5-9H2,1-4H3,(H,16,19)
InChIKeyORQLPGAHBKZBIO-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
CID 42739353
N-butyl-4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739368
N-tert-butyl-4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739366
ethyl 4-[4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperazine-1-carboxylate
CID 42739384
2-[1-[3-(butan-2-ylamino)-3-oxopropyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81337578
N-butan-2-yl-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide
CID 5176411
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
methyl 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpropanoate
CID 42796681
N-butan-2-yl-4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide
CID 42734635
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
N-butan-2-yl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide
CID 4317381

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
The IUPAC name of N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide (CID 42739350) is N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide.
What is the SMILES notation for N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
The canonical SMILES for N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide is CCC(C)NC(=O)CCCCSc1nc(C)cc(=O)n1C.
What is the InChIKey of N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
The InChIKey is ORQLPGAHBKZBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-11(2)16-13(19)8-6-7-9-21-15-17-12(3)10-14(20)18(15)4/h10-11H,5-9H2,1-4H3,(H,16,19).
What are the key properties of N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide has a molecular weight of 311.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide is sourced from PubChem (CID 42739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).