2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione

C9H14N2S — CID 106517897

IUPAC2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(C)c(C(C)C)[nH]1
InChIInChI=1S/C9H14N2S/c1-5(2)8-6(3)9(12)11-7(4)10-8/h5H,1-4H3,(H,10,11,12)
InChIKeyRHZDDKKZRKWPJN-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.88
Rot. Bonds1

About 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione

2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106517897) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106517897
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)c(C)c(C(C)C)[nH]1
InChIInChI=1S/C9H14N2S/c1-5(2)8-6(3)9(12)11-7(4)10-8/h5H,1-4H3,(H,10,11,12)
InChIKeyRHZDDKKZRKWPJN-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
2,4-Dimethyl-5-allyl-6-mercaptopyrimidine
CID 12860325
5-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106476847
5-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106476876
6-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477861
6-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106478111
6-ethyl-5-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106478136
6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839304
2,5,6-trimethyl-1H-pyrimidine-4-thione
CID 53976269
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
6-Ethyl-2-methyl-pyrimidine-4-thiol
CID 64982511

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106517897) is 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione is Cc1nc(=S)c(C)c(C(C)C)[nH]1.
What is the InChIKey of 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is RHZDDKKZRKWPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5(2)8-6(3)9(12)11-7(4)10-8/h5H,1-4H3,(H,10,11,12).
What are the key properties of 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 182.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).