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

C11H17N3S — CID 82457632

IUPAC6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1nc(=S)cc(NC2CC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-7(2)5-9-13-10(6-11(15)14-9)12-8-3-4-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyYFVMHUIWIVUOBB-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.91
Rot. Bonds4

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

6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 82457632) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID82457632
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1nc(=S)cc(NC2CC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-7(2)5-9-13-10(6-11(15)14-9)12-8-3-4-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyYFVMHUIWIVUOBB-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.91
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-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457629
6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457343
2-(2-methylpropyl)-6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457647
2-tert-butyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457381
6-(propan-2-ylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457323
2-ethyl-6-(2-hydroxypropylamino)-1H-pyrimidine-4-thione
CID 82457231
2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475340
2-(cyclopentylsulfanylmethyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481280
2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
2-(cyclopropylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475596
6-(2-methylpropyl)-2-(2-phenylethyl)-1H-pyrimidine-4-thione
CID 106481341
2-(4-ethylcyclohexyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481277

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 82457632) is 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1nc(=S)cc(NC2CC2)[nH]1.
What is the InChIKey of 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is YFVMHUIWIVUOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(2)5-9-13-10(6-11(15)14-9)12-8-3-4-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).