4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde

C7H10N4S — CID 154377184

IUPAC4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde
SMILESCc1nc(N)c(C=S)c(CN)n1
InChIInChI=1S/C7H10N4S/c1-4-10-6(2-8)5(3-12)7(9)11-4/h3H,2,8H2,1H3,(H2,9,10,11)
InChIKeyXLLNMLBBWYNNOD-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.17
Rot. Bonds2

About 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde

4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde (PubChem CID 154377184) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde.

Molecular Properties

Compound Name4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde
PubChem CID154377184
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde
SMILESCc1nc(N)c(C=S)c(CN)n1
InChIInChI=1S/C7H10N4S/c1-4-10-6(2-8)5(3-12)7(9)11-4/h3H,2,8H2,1H3,(H2,9,10,11)
InChIKeyXLLNMLBBWYNNOD-UHFFFAOYSA-N
XLogP0.17
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde?
The IUPAC name of 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde (CID 154377184) is 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde.
What is the SMILES notation for 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde?
The canonical SMILES for 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde is Cc1nc(N)c(C=S)c(CN)n1.
What is the InChIKey of 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde?
The InChIKey is XLLNMLBBWYNNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-4-10-6(2-8)5(3-12)7(9)11-4/h3H,2,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde?
4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde has a molecular weight of 182.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(aminomethyl)-2-methylpyrimidine-5-carbothialdehyde is sourced from PubChem (CID 154377184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).