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

C15H24N2OS — CID 106475262

IUPAC2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C(OC)C2CCCCC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-3-7-12-10-13(19)17-15(16-12)14(18-2)11-8-5-4-6-9-11/h10-11,14H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyOITCIVVLQHFPGV-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.36
Rot. Bonds5

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

2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475262) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475262
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C(OC)C2CCCCC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-3-7-12-10-13(19)17-15(16-12)14(18-2)11-8-5-4-6-9-11/h10-11,14H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyOITCIVVLQHFPGV-UHFFFAOYSA-N
XLogP4.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.36
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-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
2-(oxan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475199
6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457343
2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475280
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione (CID 106475262) is 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C(OC)C2CCCCC2)[nH]1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is OITCIVVLQHFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-7-12-10-13(19)17-15(16-12)14(18-2)11-8-5-4-6-9-11/h10-11,14H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione?
2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.36, 5 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-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).