N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H23N3O2S — CID 135467501

IUPACN-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc(C)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H23N3O2S/c1-3-18(12-7-5-4-6-8-12)14(20)10-21-15-16-11(2)9-13(19)17-15/h9,12H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyRRFCCOXIAVNTKY-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.35
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135467501) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135467501
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc(C)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H23N3O2S/c1-3-18(12-7-5-4-6-8-12)14(20)10-21-15-16-11(2)9-13(19)17-15/h9,12H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyRRFCCOXIAVNTKY-UHFFFAOYSA-N
XLogP2.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[2-Oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1H)-pyrimidinone
CID 135440059
N-Cyclohexyl-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403542
2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135473714
4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135505010
2-((1-Allyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 974720
N-cyclohexyl-2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135400676
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
N-cyclohexyl-2-[(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135517950
N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2360188

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135467501) is N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nc(C)cc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is RRFCCOXIAVNTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-18(12-7-5-4-6-8-12)14(20)10-21-15-16-11(2)9-13(19)17-15/h9,12H,3-8,10H2,1-2H3,(H,16,17,19).
What are the key properties of N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135467501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).