2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione

C10H16N2OS — CID 130991755

IUPAC2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione
SMILESCC(C)OC(C)(C)c1nccc(=S)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7(2)13-10(3,4)9-11-6-5-8(14)12-9/h5-7H,1-4H3,(H,11,12,14)
InChIKeyDKOLRCVYLYBXKB-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.80
Rot. Bonds3

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

2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione (PubChem CID 130991755) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione
PubChem CID130991755
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione
SMILESCC(C)OC(C)(C)c1nccc(=S)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7(2)13-10(3,4)9-11-6-5-8(14)12-9/h5-7H,1-4H3,(H,11,12,14)
InChIKeyDKOLRCVYLYBXKB-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-(2-methoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476455
2-methyl-1H-pyrimidine-6-thione
CID 5371496
2-[(6-sulfanylidene-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidine-6-thione
CID 4600808
2-butan-2-yl-1H-pyrimidine-6-thione
CID 106476513
2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-6-thione
CID 106476434
2-(dimethylamino)-1H-pyrimidine-6-thione
CID 64829651
2-(1-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476491
6-sulfanylidene-1H-pyrimidine-2-carboxamide
CID 67540587
2-(5-chloro-2-pyridinyl)-1H-pyrimidine-6-thione
CID 106476348
2-(4-propylcyclohexyl)-1H-pyrimidine-6-thione
CID 106476511
2-(2-methoxy-4-methylphenyl)-1H-pyrimidine-6-thione
CID 106794204
2-(3-methylphenyl)-1H-pyrimidine-6-thione
CID 106476500

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione (CID 130991755) is 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione is CC(C)OC(C)(C)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is DKOLRCVYLYBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)13-10(3,4)9-11-6-5-8(14)12-9/h5-7H,1-4H3,(H,11,12,14).
What are the key properties of 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione?
2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 212.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 130991755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).