2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione

C8H11N3S — CID 82457487

IUPAC2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C8H11N3S/c1-9-6-4-7(12)11-8(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyDZHPTPBGUKYRQY-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.06
Rot. Bonds2

About 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione (PubChem CID 82457487) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione
PubChem CID82457487
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C8H11N3S/c1-9-6-4-7(12)11-8(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyDZHPTPBGUKYRQY-UHFFFAOYSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.06
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)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175
2-methyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457184
2-ethyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457203
2-ethyl-6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457204
2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457205
6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457206
6-(butylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457214
2-ethyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457221
2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457234
2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457237

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione (CID 82457487) is 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione is CNc1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione?
The InChIKey is DZHPTPBGUKYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-9-6-4-7(12)11-8(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione has a molecular weight of 181.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(methylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).