2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione

C10H16N2OS — CID 106475462

IUPAC2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOC(C)c1nc(=S)cc(C(C)C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-6(2)8-5-9(14)12-10(11-8)7(3)13-4/h5-7H,1-4H3,(H,11,12,14)
InChIKeyUAYCQONHXWOJHJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.97
Rot. Bonds3

About 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione

2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475462) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475462
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOC(C)c1nc(=S)cc(C(C)C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-6(2)8-5-9(14)12-10(11-8)7(3)13-4/h5-7H,1-4H3,(H,11,12,14)
InChIKeyUAYCQONHXWOJHJ-UHFFFAOYSA-N
XLogP2.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.97
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-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106475404
6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106475437
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(2-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475178

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475462) is 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione is COC(C)c1nc(=S)cc(C(C)C)[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is UAYCQONHXWOJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)8-5-9(14)12-10(11-8)7(3)13-4/h5-7H,1-4H3,(H,11,12,14).
What are the key properties of 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).