2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C7H11N3S — CID 728853

IUPAC2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C7H11N3S/c1-3-5-4(2)9-7(8)10-6(5)11/h3H2,1-2H3,(H3,8,9,10,11)
InChIKeyPVNRXCCWLJJGFW-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.59
Rot. Bonds1

About 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 728853) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID728853
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C7H11N3S/c1-3-5-4(2)9-7(8)10-6(5)11/h3H2,1-2H3,(H3,8,9,10,11)
InChIKeyPVNRXCCWLJJGFW-UHFFFAOYSA-N
XLogP1.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 728853) is 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(N)nc1=S.
What is the InChIKey of 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is PVNRXCCWLJJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-3-5-4(2)9-7(8)10-6(5)11/h3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 169.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 728853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).