6-(4-methoxyphenyl)-1H-pyrimidine-2-thione

C11H10N2OS — CID 2736768

IUPAC6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2ccnc(=S)[nH]2)cc1
InChIInChI=1S/C11H10N2OS/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(15)13-10/h2-7H,1H3,(H,12,13,15)
InChIKeyKSXDNCUHISGCTF-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.81
Rot. Bonds2

About 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione

6-(4-methoxyphenyl)-1H-pyrimidine-2-thione (PubChem CID 2736768) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
PubChem CID2736768
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2ccnc(=S)[nH]2)cc1
InChIInChI=1S/C11H10N2OS/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(15)13-10/h2-7H,1H3,(H,12,13,15)
InChIKeyKSXDNCUHISGCTF-UHFFFAOYSA-N
XLogP2.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.81
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

4-(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)pyrimidine-2-thiol
CID 2821223
1-Cyclohexyl-3-(4-methoxybenzyl)thiourea
CID 19649515
6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 883504
Thiourea, N,N'-bis((4-methoxyphenyl)methyl)-
CID 834166
6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
CID 2821359
1-[(4-Methoxyphenyl)methyl]-3-(4-phenylbutan-2-yl)thiourea
CID 4324823
1-(4-Methoxybenzyl)-3-methylthiourea
CID 799727
4-(4-Methoxyphenyl)-5-phenyl-4-imidazoline-2-thione
CID 4237287
4-[4-(Difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
CID 25124267
4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol
CID 736367
1-(4-Methoxybenzyl)-2-thiourea
CID 766954
N-cyclopentyl-N'-(4-methoxybenzyl)thiourea
CID 891888

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione (CID 2736768) is 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione is COc1ccc(-c2ccnc(=S)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione?
The InChIKey is KSXDNCUHISGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(15)13-10/h2-7H,1H3,(H,12,13,15).
What are the key properties of 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione?
6-(4-methoxyphenyl)-1H-pyrimidine-2-thione has a molecular weight of 218.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 2736768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).