4-amino-1-methylpyrimidine-2-thione;ethane

C7H13N3S — CID 143278147

IUPAC4-amino-1-methylpyrimidine-2-thione;ethane
SMILESCC.Cn1ccc(N)nc1=S
InChIInChI=1S/C5H7N3S.C2H6/c1-8-3-2-4(6)7-5(8)9;1-2/h2-3H,1H3,(H2,6,7,9);1-2H3
InChIKeyMPJRHNDMTNIKDA-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.76
Rot. Bonds

About 4-amino-1-methylpyrimidine-2-thione;ethane

4-amino-1-methylpyrimidine-2-thione;ethane (PubChem CID 143278147) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-amino-1-methylpyrimidine-2-thione;ethane.

Molecular Properties

Compound Name4-amino-1-methylpyrimidine-2-thione;ethane
PubChem CID143278147
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name4-amino-1-methylpyrimidine-2-thione;ethane
SMILESCC.Cn1ccc(N)nc1=S
InChIInChI=1S/C5H7N3S.C2H6/c1-8-3-2-4(6)7-5(8)9;1-2/h2-3H,1H3,(H2,6,7,9);1-2H3
InChIKeyMPJRHNDMTNIKDA-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fluorothiocytosine
CID 129821564
Pyrimidine, 2-amino-1,4-dihydro-4-imino-1-methyl-
CID 101145593
Pyrimidine, 1,2-dihydro-2-imino-1-methyl-4-methylamino-
CID 55287407
Pyrimidine, 1,4-dihydro-4-imino-1-methyl-2-methylamino-
CID 171384357
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-thio-
CID 171384593
2(1H)-Pyrimidinethione, 4-amino-1-methyl-
CID 10419272
1-Methyl 2,4-diaminopyrimidine
CID 143466155
7-Amino-1-methylimidazo[1,2-c]pyrimidine-5-thione
CID 10375032
2(1H)-Pyrimidinethione, 4,6-diamino-1-methyl-
CID 11008167
4-Amino-6-(ethylamino)-1-methylpyrimidine-2-thione
CID 11819733
4,6-diamino-1-ethyl-2-(1H)-pyrimidinethione
CID 15200360
4,6-Diamino-1-propylpyrimidine-2(1H)-thione
CID 15200361

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrimidine-2-thione;ethane?
The IUPAC name of 4-amino-1-methylpyrimidine-2-thione;ethane (CID 143278147) is 4-amino-1-methylpyrimidine-2-thione;ethane.
What is the SMILES notation for 4-amino-1-methylpyrimidine-2-thione;ethane?
The canonical SMILES for 4-amino-1-methylpyrimidine-2-thione;ethane is CC.Cn1ccc(N)nc1=S.
What is the InChIKey of 4-amino-1-methylpyrimidine-2-thione;ethane?
The InChIKey is MPJRHNDMTNIKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S.C2H6/c1-8-3-2-4(6)7-5(8)9;1-2/h2-3H,1H3,(H2,6,7,9);1-2H3.
What are the key properties of 4-amino-1-methylpyrimidine-2-thione;ethane?
4-amino-1-methylpyrimidine-2-thione;ethane has a molecular weight of 171.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrimidine-2-thione;ethane is sourced from PubChem (CID 143278147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).