2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione

C15H24N2OS — CID 106475067

IUPAC2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OC)CCCCCC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-3-8-12-11-13(19)17-14(16-12)15(18-2)9-6-4-5-7-10-15/h11H,3-10H2,1-2H3,(H,16,17,19)
InChIKeyOIIPVSARXRKBPO-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.29
Rot. Bonds4

About 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione

2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475067) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475067
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OC)CCCCCC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-3-8-12-11-13(19)17-14(16-12)15(18-2)9-6-4-5-7-10-15/h11H,3-10H2,1-2H3,(H,16,17,19)
InChIKeyOIIPVSARXRKBPO-UHFFFAOYSA-N
XLogP4.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.29
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-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818
[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
CID 116779739
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069
2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475262
1-[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 104611931
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
2-methoxy-N-[[2-(1-methoxycycloheptyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116779879
5-bromo-6-cyclopropyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106480297
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475067) is 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2(OC)CCCCCC2)[nH]1.
What is the InChIKey of 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is OIIPVSARXRKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-8-12-11-13(19)17-14(16-12)15(18-2)9-6-4-5-7-10-15/h11H,3-10H2,1-2H3,(H,16,17,19).
What are the key properties of 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione?
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).