2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione

C15H18N2OS — CID 106475189

IUPAC2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(Cc2ccccc2OC)[nH]1
InChIInChI=1S/C15H18N2OS/c1-3-6-12-10-15(19)17-14(16-12)9-11-7-4-5-8-13(11)18-2/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17,19)
InChIKeyNHMPIQBBUPBIAT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.69
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione

2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475189) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475189
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(Cc2ccccc2OC)[nH]1
InChIInChI=1S/C15H18N2OS/c1-3-6-12-10-15(19)17-14(16-12)9-11-7-4-5-8-13(11)18-2/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17,19)
InChIKeyNHMPIQBBUPBIAT-UHFFFAOYSA-N
XLogP3.69
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.69
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-[(3-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475240
2-[(3,4-dichlorophenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475153
6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522297
5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione
CID 106480653
2-(ethylsulfanylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475286
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
CID 96602601
2-[(2-bromophenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475779
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
2-[(3-chlorophenyl)sulfanylmethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione (CID 106475189) is 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(Cc2ccccc2OC)[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is NHMPIQBBUPBIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-6-12-10-15(19)17-14(16-12)9-11-7-4-5-8-13(11)18-2/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione?
2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 274.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).