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

C14H21N3O2S — CID 42739447

IUPACN-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
SMILESCCCC(Sc1nc(C)cc(=O)n1C)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O2S/c1-4-5-11(13(19)16-10-6-7-10)20-14-15-9(2)8-12(18)17(14)3/h8,10-11H,4-7H2,1-3H3,(H,16,19)
InChIKeyZDPNVPDCPAPFBU-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.63
Rot. Bonds6

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

N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide (PubChem CID 42739447) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
PubChem CID42739447
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
SMILESCCCC(Sc1nc(C)cc(=O)n1C)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O2S/c1-4-5-11(13(19)16-10-6-7-10)20-14-15-9(2)8-12(18)17(14)3/h8,10-11H,4-7H2,1-3H3,(H,16,19)
InChIKeyZDPNVPDCPAPFBU-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 42739444
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-(3,3-diphenylpropyl)butanamide
CID 42739469
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 42739472
ethyl 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739465
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 42739114
methyl 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpropanoate
CID 42796681
3-[1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42739118
N-butyl-4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739368
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 83048478
2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-propylpentanamide
CID 42738677

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
The IUPAC name of N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide (CID 42739447) is N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide.
What is the SMILES notation for N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
The canonical SMILES for N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide is CCCC(Sc1nc(C)cc(=O)n1C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
The InChIKey is ZDPNVPDCPAPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-5-11(13(19)16-10-6-7-10)20-14-15-9(2)8-12(18)17(14)3/h8,10-11H,4-7H2,1-3H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide?
N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide has a molecular weight of 295.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide is sourced from PubChem (CID 42739447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).