6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione

C14H14N2OS — CID 106522214

IUPAC6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(-c2cccc(OC3CC3)c2)[nH]1
InChIInChI=1S/C14H14N2OS/c1-9-15-13(8-14(18)16-9)10-3-2-4-12(7-10)17-11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,15,16,18)
InChIKeyMYKGSYNYGHHIKB-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.66
Rot. Bonds3

About 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione

6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 106522214) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione
PubChem CID106522214
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(-c2cccc(OC3CC3)c2)[nH]1
InChIInChI=1S/C14H14N2OS/c1-9-15-13(8-14(18)16-9)10-3-2-4-12(7-10)17-11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,15,16,18)
InChIKeyMYKGSYNYGHHIKB-UHFFFAOYSA-N
XLogP3.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.66
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

6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
5-(3-cyclobutyloxyphenyl)-1H-pyrazole
CID 175709827
6-(5-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidine-4-thione
CID 106520596
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770300
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770296
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
CID 114522502
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139
3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole
CID 114522779

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione (CID 106522214) is 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(-c2cccc(OC3CC3)c2)[nH]1.
What is the InChIKey of 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is MYKGSYNYGHHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-15-13(8-14(18)16-9)10-3-2-4-12(7-10)17-11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H,15,16,18).
What are the key properties of 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione?
6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 258.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106522214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).