2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione

C13H21N3OS — CID 82457443

IUPAC2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C13H21N3OS/c1-9-5-3-4-6-10(9)14-11-7-13(18)16-12(15-11)8-17-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,18)
InChIKeyUQTSZSAHLFSBGH-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.28
Rot. Bonds4

About 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione

2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457443) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
PubChem CID82457443
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C13H21N3OS/c1-9-5-3-4-6-10(9)14-11-7-13(18)16-12(15-11)8-17-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,18)
InChIKeyUQTSZSAHLFSBGH-UHFFFAOYSA-N
XLogP3.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
2-ethyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457277
6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
CID 82457334
6-(hexylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 82457434
2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
CID 82457438
6-(cyclohexylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 82457465
2-(methoxymethyl)-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457470
6-(cycloheptylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 82457472
2-cyclohexyl-6-(3-ethoxypropylamino)-1H-pyrimidine-4-thione
CID 82457557
2-cyclohexyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457559
2-cyclohexyl-6-(2-hydroxypropylamino)-1H-pyrimidine-4-thione
CID 82457565

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (CID 82457443) is 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is COCc1nc(=S)cc(NC2CCCCC2C)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The InChIKey is UQTSZSAHLFSBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-5-3-4-6-10(9)14-11-7-13(18)16-12(15-11)8-17-2/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione has a molecular weight of 267.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).