2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione

C15H16N2OS — CID 106519885

IUPAC2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
SMILESCCOc1cccc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C15H16N2OS/c1-2-18-12-5-3-4-11(8-12)13-9-14(19)17-15(16-13)10-6-7-10/h3-5,8-10H,2,6-7H2,1H3,(H,16,17,19)
InChIKeyRHNFWRTVDQHTEE-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.08
Rot. Bonds4

About 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione (PubChem CID 106519885) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
PubChem CID106519885
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
SMILESCCOc1cccc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C15H16N2OS/c1-2-18-12-5-3-4-11(8-12)13-9-14(19)17-15(16-13)10-6-7-10/h3-5,8-10H,2,6-7H2,1H3,(H,16,17,19)
InChIKeyRHNFWRTVDQHTEE-UHFFFAOYSA-N
XLogP4.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.08
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-(4-methylcyclohexyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474873
6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione
CID 106522214
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
2-(3-ethoxyphenyl)-1H-pyridine-4-thione
CID 106519869
4-cyclopropyl-2-(3-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739716
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106515306
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
2-(3-ethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106519900

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione (CID 106519885) is 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione is CCOc1cccc(-c2cc(=S)nc(C3CC3)[nH]2)c1.
What is the InChIKey of 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione?
The InChIKey is RHNFWRTVDQHTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-18-12-5-3-4-11(8-12)13-9-14(19)17-15(16-13)10-6-7-10/h3-5,8-10H,2,6-7H2,1H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione has a molecular weight of 272.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106519885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).