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

C8H16N4S — CID 170732489

IUPAC2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane
SMILESCC.CNc1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C6H10N4S.C2H6/c1-3-4(8-2)5(11)10-6(7)9-3;1-2/h8H,1-2H3,(H3,7,9,10,11);1-2H3
InChIKeyDJFMFQFCSJTUGN-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.10
Rot. Bonds1

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

2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane (PubChem CID 170732489) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane.

Molecular Properties

Compound Name2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane
PubChem CID170732489
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane
SMILESCC.CNc1c(C)[nH]c(N)nc1=S
InChIInChI=1S/C6H10N4S.C2H6/c1-3-4(8-2)5(11)10-6(7)9-3;1-2/h8H,1-2H3,(H3,7,9,10,11);1-2H3
InChIKeyDJFMFQFCSJTUGN-UHFFFAOYSA-N
XLogP2.10
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.10
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;ethane?
The IUPAC name of 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane (CID 170732489) is 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane.
What is the SMILES notation for 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane?
The canonical SMILES for 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane is CC.CNc1c(C)[nH]c(N)nc1=S.
What is the InChIKey of 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane?
The InChIKey is DJFMFQFCSJTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S.C2H6/c1-3-4(8-2)5(11)10-6(7)9-3;1-2/h8H,1-2H3,(H3,7,9,10,11);1-2H3.
What are the key properties of 2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane?
2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane has a molecular weight of 200.31 g/mol, XLogP of 2.10, 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;ethane is sourced from PubChem (CID 170732489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).