2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione

C14H22N2OS — CID 106475343

IUPAC2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C(C)C)[nH]2)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-10(2)11-9-12(18)16-13(15-11)14(17-3)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H,15,16,18)
InChIKeyKORSVVMAIFCJPC-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.07
Rot. Bonds3

About 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione

2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475343) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475343
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C(C)C)[nH]2)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-10(2)11-9-12(18)16-13(15-11)14(17-3)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H,15,16,18)
InChIKeyKORSVVMAIFCJPC-UHFFFAOYSA-N
XLogP4.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
2-(1-phenylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475499
5-bromo-6-cyclopropyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106480297
2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963734
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 136964163
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136951896
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475343) is 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione is COC1(c2nc(=S)cc(C(C)C)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is KORSVVMAIFCJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)11-9-12(18)16-13(15-11)14(17-3)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).