6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione

C16H20N2S — CID 106477942

IUPAC6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1ccccc1Cc1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C16H20N2S/c1-10(2)15-12(4)17-14(18-16(15)19)9-13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyOYCKVVFFUKZIMO-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.47
Rot. Bonds3

About 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione

6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477942) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477942
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1ccccc1Cc1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C16H20N2S/c1-10(2)15-12(4)17-14(18-16(15)19)9-13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyOYCKVVFFUKZIMO-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667
N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177477
4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 63613771
2-(butan-2-ylsulfanylmethyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478071
4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
CID 82947392
N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816370
5-[(2-bromophenyl)methyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 82489305
2-[(2-bromophenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475779
5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 139016979
2-[(3,4-dimethylphenyl)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476692
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478000
2-[(2-fluorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217599

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477942) is 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1ccccc1Cc1nc(=S)c(C(C)C)c(C)[nH]1.
What is the InChIKey of 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is OYCKVVFFUKZIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-10(2)15-12(4)17-14(18-16(15)19)9-13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3,(H,17,18,19).
What are the key properties of 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 272.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).