4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile

C10H14N4S2 — CID 11345831

IUPAC4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(SC(C)(C)C)nc(N)c1C#N
InChIInChI=1S/C10H14N4S2/c1-10(2,3)16-9-13-7(12)6(5-11)8(14-9)15-4/h1-4H3,(H2,12,13,14)
InChIKeyAMQYJMLOCNVRCR-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.54
Rot. Bonds2

About 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile

4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 11345831) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID11345831
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(SC(C)(C)C)nc(N)c1C#N
InChIInChI=1S/C10H14N4S2/c1-10(2,3)16-9-13-7(12)6(5-11)8(14-9)15-4/h1-4H3,(H2,12,13,14)
InChIKeyAMQYJMLOCNVRCR-UHFFFAOYSA-N
XLogP2.54
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 11345831) is 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(SC(C)(C)C)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is AMQYJMLOCNVRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-10(2,3)16-9-13-7(12)6(5-11)8(14-9)15-4/h1-4H3,(H2,12,13,14).
What are the key properties of 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 254.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 11345831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).