4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane

C10H18N4S — CID 143758237

IUPAC4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane
SMILESC=CCNc1cn(C)c(=S)nc1N.CC
InChIInChI=1S/C8H12N4S.C2H6/c1-3-4-10-6-5-12(2)8(13)11-7(6)9;1-2/h3,5,10H,1,4H2,2H3,(H2,9,11,13);1-2H3
InChIKeyRFSSOFTWRRQHDS-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.36
Rot. Bonds3

About 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane

4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane (PubChem CID 143758237) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane.

Molecular Properties

Compound Name4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane
PubChem CID143758237
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane
SMILESC=CCNc1cn(C)c(=S)nc1N.CC
InChIInChI=1S/C8H12N4S.C2H6/c1-3-4-10-6-5-12(2)8(13)11-7(6)9;1-2/h3,5,10H,1,4H2,2H3,(H2,9,11,13);1-2H3
InChIKeyRFSSOFTWRRQHDS-UHFFFAOYSA-N
XLogP2.36
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione
CID 88894721
6-{[2-(diethylamino)ethyl]amino}-4-methylpyrimidine-2(1H)-thione
CID 53491189
4-[2-[(1,6-Dimethyl-2-sulfanylidenepyrimidin-4-yl)amino]ethylamino]-1,6-dimethylpyrimidine-2-thione
CID 76045960
4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
CID 83872026
4-(diethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
CID 83872031
6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione
CID 83872032

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane?
The IUPAC name of 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane (CID 143758237) is 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane.
What is the SMILES notation for 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane?
The canonical SMILES for 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane is C=CCNc1cn(C)c(=S)nc1N.CC.
What is the InChIKey of 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane?
The InChIKey is RFSSOFTWRRQHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S.C2H6/c1-3-4-10-6-5-12(2)8(13)11-7(6)9;1-2/h3,5,10H,1,4H2,2H3,(H2,9,11,13);1-2H3.
What are the key properties of 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane?
4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane has a molecular weight of 226.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane is sourced from PubChem (CID 143758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).