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

C10H17N3S — CID 82457237

IUPAC2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCC(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-4-8-12-9(5-10(14)13-8)11-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyPYSRIGZSLNMRSB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.77
Rot. Bonds4

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

2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione (PubChem CID 82457237) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
PubChem CID82457237
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCC(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-4-8-12-9(5-10(14)13-8)11-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyPYSRIGZSLNMRSB-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.77
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

N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
CID 134549537
6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457112
6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457121
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
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-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione (CID 82457237) is 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCC(C)C)[nH]1.
What is the InChIKey of 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
The InChIKey is PYSRIGZSLNMRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-8-12-9(5-10(14)13-8)11-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).