6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione

C15H22N2OS — CID 106481818

IUPAC6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C3CCCC3)[nH]2)CCCC1
InChIInChI=1S/C15H22N2OS/c1-18-15(8-4-5-9-15)14-16-12(10-13(19)17-14)11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,16,17,19)
InChIKeyAVISMWVXTNZTFT-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.21
Rot. Bonds3

About 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione (PubChem CID 106481818) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
PubChem CID106481818
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C3CCCC3)[nH]2)CCCC1
InChIInChI=1S/C15H22N2OS/c1-18-15(8-4-5-9-15)14-16-12(10-13(19)17-14)11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,16,17,19)
InChIKeyAVISMWVXTNZTFT-UHFFFAOYSA-N
XLogP4.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.21
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-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 136964163
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286
5-bromo-6-cyclopropyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106480297
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione (CID 106481818) is 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione is COC1(c2nc(=S)cc(C3CCCC3)[nH]2)CCCC1.
What is the InChIKey of 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione?
The InChIKey is AVISMWVXTNZTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-15(8-4-5-9-15)14-16-12(10-13(19)17-14)11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,16,17,19).
What are the key properties of 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione has a molecular weight of 278.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).