4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile

C10H15N5S — CID 21285554

IUPAC4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCN(CC)c1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C10H15N5S/c1-4-15(5-2)10-13-8(12)7(6-11)9(14-10)16-3/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeySAAAZRCMNWJXEG-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile

4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 21285554) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID21285554
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCN(CC)c1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C10H15N5S/c1-4-15(5-2)10-13-8(12)7(6-11)9(14-10)16-3/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeySAAAZRCMNWJXEG-UHFFFAOYSA-N
XLogP1.50
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 21285554) is 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile is CCN(CC)c1nc(N)c(C#N)c(SC)n1.
What is the InChIKey of 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is SAAAZRCMNWJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-15(5-2)10-13-8(12)7(6-11)9(14-10)16-3/h4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 237.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 21285554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).