2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

C10H16N2OS — CID 106477588

IUPAC2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C(C)(C)C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9-11-7(6-13-4)5-8(14)12-9/h5H,6H2,1-4H3,(H,11,12,14)
InChIKeyDZCBAQDZOUYMQZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.58
Rot. Bonds2

About 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477588) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477588
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C(C)(C)C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9-11-7(6-13-4)5-8(14)12-9/h5H,6H2,1-4H3,(H,11,12,14)
InChIKeyDZCBAQDZOUYMQZ-UHFFFAOYSA-N
XLogP2.58
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.58
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-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477610
6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106477636
6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
CID 94077038
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
2-(2-ethoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475688
6-(methoxymethyl)-2-propyl-1H-pyrimidine-4-thione
CID 106477607
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106477612
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
2-(cyclopropylmethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477623
2-(2-ethoxybutan-2-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477628

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477588) is 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C(C)(C)C)[nH]1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is DZCBAQDZOUYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)9-11-7(6-13-4)5-8(14)12-9/h5H,6H2,1-4H3,(H,11,12,14).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).