2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide

C15H22N4OS — CID 42996055

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C2/CCCCC2C)n1
InChIInChI=1S/C15H22N4OS/c1-10-6-4-5-7-13(10)18-19-14(20)9-21-15-16-11(2)8-12(3)17-15/h8,10H,4-7,9H2,1-3H3,(H,19,20)/b18-13-
InChIKeyDWCFFCKPNWEMCM-AQTBWJFISA-N
MW306.44 g/mol
LogP2.87
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide (PubChem CID 42996055) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
PubChem CID42996055
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C2/CCCCC2C)n1
InChIInChI=1S/C15H22N4OS/c1-10-6-4-5-7-13(10)18-19-14(20)9-21-15-16-11(2)8-12(3)17-15/h8,10H,4-7,9H2,1-3H3,(H,19,20)/b18-13-
InChIKeyDWCFFCKPNWEMCM-AQTBWJFISA-N
XLogP2.87
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
CID 42996039
2-(4-fluoroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996
2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 51653651
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119591556
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555
1-cyclohexyl-3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiourea
CID 4684324
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-4a,5,6,7,8,8a-hexahydro-1,3-benzothiazin-2-yl)acetamide
CID 52956594
2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 1379155
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120601292
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460318

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide (CID 42996055) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide is Cc1cc(C)nc(SCC(=O)N/N=C2/CCCCC2C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The InChIKey is DWCFFCKPNWEMCM-AQTBWJFISA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-6-4-5-7-13(10)18-19-14(20)9-21-15-16-11(2)8-12(3)17-15/h8,10H,4-7,9H2,1-3H3,(H,19,20)/b18-13-.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 42996055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).