4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile

C10H14N4S — CID 100775975

IUPAC4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCCCc1nc(SC)nc(N)c1C#N
InChIInChI=1S/C10H14N4S/c1-3-4-5-8-7(6-11)9(12)14-10(13-8)15-2/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyQSCJBRPGIQWLPP-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile

4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 100775975) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID100775975
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCCCc1nc(SC)nc(N)c1C#N
InChIInChI=1S/C10H14N4S/c1-3-4-5-8-7(6-11)9(12)14-10(13-8)15-2/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyQSCJBRPGIQWLPP-UHFFFAOYSA-N
XLogP1.99
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(2R)-butan-2-yl]sulfanyl-6-butylpyrimidine-5-carbonitrile
CID 100775997
4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
CID 100775741
4-amino-2-benzylsulfanyl-6-propylpyrimidine-5-carbonitrile
CID 100775845
4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100776168
5-amino-3-butyl-1,2-thiazole-4-carbonitrile
CID 70536955
5-amino-3-butyl-6-chloropyrazine-2-carbonitrile
CID 89081665
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11053865
2-amino-6-butylpyridine-3-carbonitrile
CID 82411114
6-butylpyrazin-2-amine
CID 89087055
2,4-diamino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 16795548
5-butyl-2H-triazole-4-carbonitrile
CID 69384734

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile (CID 100775975) is 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile is CCCCc1nc(SC)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is QSCJBRPGIQWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-4-5-8-7(6-11)9(12)14-10(13-8)15-2/h3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 222.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 100775975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).