2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione

C7H10N4S — CID 170732542

IUPAC2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione
SMILESC/C=N/c1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C7H10N4S/c1-3-9-5-4(2)10-7(8)11-6(5)12/h3H,1-2H3,(H3,8,10,11,12)/b9-3+
InChIKeyYPDBLXFTEYGMLC-YCRREMRBSA-N
MW182.25 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione

2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 170732542) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione
PubChem CID170732542
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione
SMILESC/C=N/c1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C7H10N4S/c1-3-9-5-4(2)10-7(8)11-6(5)12/h3H,1-2H3,(H3,8,10,11,12)/b9-3+
InChIKeyYPDBLXFTEYGMLC-YCRREMRBSA-N
XLogP1.75
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione (CID 170732542) is 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione is C/C=N/c1c(C)[nH]c(N)nc1=S.
What is the InChIKey of 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is YPDBLXFTEYGMLC-YCRREMRBSA-N. The full InChI is InChI=1S/C7H10N4S/c1-3-9-5-4(2)10-7(8)11-6(5)12/h3H,1-2H3,(H3,8,10,11,12)/b9-3+.
What are the key properties of 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione?
2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 182.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 170732542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).