2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

C8H13N3S — CID 82457142

IUPAC2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC(C)C)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)9-7-4-8(12)11-6(3)10-7/h4-5H,1-3H3,(H2,9,10,11,12)
InChIKeyDNSMVWTYNNFTND-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457142) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457142
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC(C)C)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)9-7-4-8(12)11-6(3)10-7/h4-5H,1-3H3,(H2,9,10,11,12)
InChIKeyDNSMVWTYNNFTND-UHFFFAOYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457078
6-(butan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457108
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-[2-(diethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457147
6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457149
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457142) is 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NC(C)C)[nH]1.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is DNSMVWTYNNFTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)9-7-4-8(12)11-6(3)10-7/h4-5H,1-3H3,(H2,9,10,11,12).
What are the key properties of 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).