2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione

C8H12N2S — CID 94077036

IUPAC2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(C(C)C)[nH]1
InChIInChI=1S/C8H12N2S/c1-5(2)7-4-8(11)10-6(3)9-7/h4-5H,1-3H3,(H,9,10,11)
InChIKeyVOJVCAVQZXZPCQ-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.57
Rot. Bonds1

About 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione

2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 94077036) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID94077036
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(C(C)C)[nH]1
InChIInChI=1S/C8H12N2S/c1-5(2)7-4-8(11)10-6(3)9-7/h4-5H,1-3H3,(H,9,10,11)
InChIKeyVOJVCAVQZXZPCQ-UHFFFAOYSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 94077036) is 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(C(C)C)[nH]1.
What is the InChIKey of 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is VOJVCAVQZXZPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(2)7-4-8(11)10-6(3)9-7/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 168.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94077036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).