2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile

C10H12N4S2 — CID 3387158

IUPAC2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESC=C(C)CSc1nc(N)nc(SC)c1C#N
InChIInChI=1S/C10H12N4S2/c1-6(2)5-16-9-7(4-11)8(15-3)13-10(12)14-9/h1,5H2,2-3H3,(H2,12,13,14)
InChIKeyMTQYSSVNJCMLOA-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile

2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 3387158) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID3387158
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESC=C(C)CSc1nc(N)nc(SC)c1C#N
InChIInChI=1S/C10H12N4S2/c1-6(2)5-16-9-7(4-11)8(15-3)13-10(12)14-9/h1,5H2,2-3H3,(H2,12,13,14)
InChIKeyMTQYSSVNJCMLOA-UHFFFAOYSA-N
XLogP2.32
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 3387158) is 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile is C=C(C)CSc1nc(N)nc(SC)c1C#N.
What is the InChIKey of 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is MTQYSSVNJCMLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-6(2)5-16-9-7(4-11)8(15-3)13-10(12)14-9/h1,5H2,2-3H3,(H2,12,13,14).
What are the key properties of 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 252.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylprop-2-enylsulfanyl)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 3387158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).