6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione

C6H10N4S — CID 83872008

IUPAC6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione
SMILESCNc1cc(CN)[nH]c(=S)n1
InChIInChI=1S/C6H10N4S/c1-8-5-2-4(3-7)9-6(11)10-5/h2H,3,7H2,1H3,(H2,8,9,10,11)
InChIKeyFTLDUKKAYQGHEF-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.64
Rot. Bonds2

About 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione

6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione (PubChem CID 83872008) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione
PubChem CID83872008
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione
SMILESCNc1cc(CN)[nH]c(=S)n1
InChIInChI=1S/C6H10N4S/c1-8-5-2-4(3-7)9-6(11)10-5/h2H,3,7H2,1H3,(H2,8,9,10,11)
InChIKeyFTLDUKKAYQGHEF-UHFFFAOYSA-N
XLogP0.64
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione (CID 83872008) is 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione is CNc1cc(CN)[nH]c(=S)n1.
What is the InChIKey of 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione?
The InChIKey is FTLDUKKAYQGHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-8-5-2-4(3-7)9-6(11)10-5/h2H,3,7H2,1H3,(H2,8,9,10,11).
What are the key properties of 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione?
6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione has a molecular weight of 170.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(methylamino)-1H-pyrimidine-2-thione is sourced from PubChem (CID 83872008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).