6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione

C9H13N3S — CID 82457206

IUPAC6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC2CC2)[nH]1
InChIInChI=1S/C9H13N3S/c1-2-7-11-8(5-9(13)12-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyBGHWKDZIRFTSLY-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.28
Rot. Bonds3

About 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione

6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione (PubChem CID 82457206) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione
PubChem CID82457206
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC2CC2)[nH]1
InChIInChI=1S/C9H13N3S/c1-2-7-11-8(5-9(13)12-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyBGHWKDZIRFTSLY-UHFFFAOYSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.28
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

6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457079
6-(butan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457108
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-(cyclopentylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457163
6-(butan-2-ylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457171
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175
2-ethyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457203
2-ethyl-6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457204

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione (CID 82457206) is 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NC2CC2)[nH]1.
What is the InChIKey of 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione?
The InChIKey is BGHWKDZIRFTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-7-11-8(5-9(13)12-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione?
6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione has a molecular weight of 195.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).