2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione

C14H22N2OS — CID 106476263

IUPAC2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C(OC)C2CCCCC2)[nH]1
InChIInChI=1S/C14H22N2OS/c1-3-11-9-12(18)16-14(15-11)13(17-2)10-7-5-4-6-8-10/h9-10,13H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyDIRSAHBHHOFCMB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.97
Rot. Bonds4

About 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione

2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476263) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476263
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C(OC)C2CCCCC2)[nH]1
InChIInChI=1S/C14H22N2OS/c1-3-11-9-12(18)16-14(15-11)13(17-2)10-7-5-4-6-8-10/h9-10,13H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyDIRSAHBHHOFCMB-UHFFFAOYSA-N
XLogP3.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.97
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

2-(1-methoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475066
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
2-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475144
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
2-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475221
2-(1-methoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475261
2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475262
2-(oxan-2-ylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475319

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione (CID 106476263) is 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C(OC)C2CCCCC2)[nH]1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is DIRSAHBHHOFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-11-9-12(18)16-14(15-11)13(17-2)10-7-5-4-6-8-10/h9-10,13H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).