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

C9H11N5S — CID 21285549

IUPAC4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(NC2CC2)nc(N)c1C#N
InChIInChI=1S/C9H11N5S/c1-15-8-6(4-10)7(11)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeySXQHZMRZFJYJLZ-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.23
Rot. Bonds3

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

4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 21285549) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID21285549
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(NC2CC2)nc(N)c1C#N
InChIInChI=1S/C9H11N5S/c1-15-8-6(4-10)7(11)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeySXQHZMRZFJYJLZ-UHFFFAOYSA-N
XLogP1.23
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Dicyclanil
CID 3081364
4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-
CID 820634
2-Amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 15744710
4-(Dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 2801175
4-Amino-2-hexylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 10902084
4-Amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 11345831
4-Amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile
CID 11746608
5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-
CID 4778754
4-Amino-2-(butylthio)-6-(methylthio)pyrimidine-5-carbonitrile
CID 11207546
4-Amino-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 11447482
4-Amino-2-chloro-6-(methylthio)pyrimidine-5-carbonitrile
CID 11830458

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 21285549) is 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(NC2CC2)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is SXQHZMRZFJYJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-15-8-6(4-10)7(11)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 221.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 21285549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).