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

C6H10N4S — CID 170732490

IUPAC2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C6H10N4S/c1-3-4(8-2)5(11)10-6(7)9-3/h8H,1-2H3,(H3,7,9,10,11)
InChIKeyJCEHWYXNXUOWQE-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.07
Rot. Bonds1

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

2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione (PubChem CID 170732490) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione
PubChem CID170732490
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C6H10N4S/c1-3-4(8-2)5(11)10-6(7)9-3/h8H,1-2H3,(H3,7,9,10,11)
InChIKeyJCEHWYXNXUOWQE-UHFFFAOYSA-N
XLogP1.07
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.07
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 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione (CID 170732490) is 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione is CNc1c(C)[nH]c(N)nc1=S.
What is the InChIKey of 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione?
The InChIKey is JCEHWYXNXUOWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-3-4(8-2)5(11)10-6(7)9-3/h8H,1-2H3,(H3,7,9,10,11).
What are the key properties of 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione?
2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione has a molecular weight of 170.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 170732490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).