2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide

C15H24N4S — CID 107546845

IUPAC2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
SMILESCCC1CCC(N(C)c2nc(C)cc(C(N)=S)n2)CC1
InChIInChI=1S/C15H24N4S/c1-4-11-5-7-12(8-6-11)19(3)15-17-10(2)9-13(18-15)14(16)20/h9,11-12H,4-8H2,1-3H3,(H2,16,20)
InChIKeyJUFJFXXNBPESMC-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.82
Rot. Bonds4

About 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide

2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide (PubChem CID 107546845) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
PubChem CID107546845
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
SMILESCCC1CCC(N(C)c2nc(C)cc(C(N)=S)n2)CC1
InChIInChI=1S/C15H24N4S/c1-4-11-5-7-12(8-6-11)19(3)15-17-10(2)9-13(18-15)14(16)20/h9,11-12H,4-8H2,1-3H3,(H2,16,20)
InChIKeyJUFJFXXNBPESMC-UHFFFAOYSA-N
XLogP2.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylcyclohexyl)-methylamino]pyrimidine-4-carbothioamide
CID 107546846
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546694
2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546828
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553609
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107548268
4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80809163
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107553809
4-chloro-2-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 63518376
2-[(4-ethylcyclohexyl)-methylamino]-5-fluorobenzenecarbothioamide
CID 63673867
ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide (CID 107546845) is 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide is CCC1CCC(N(C)c2nc(C)cc(C(N)=S)n2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide?
The InChIKey is JUFJFXXNBPESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-11-5-7-12(8-6-11)19(3)15-17-10(2)9-13(18-15)14(16)20/h9,11-12H,4-8H2,1-3H3,(H2,16,20).
What are the key properties of 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide?
2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107546845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).