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

C9H10N4S — CID 100776168

IUPAC4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)c(C#N)c(C2CC2)n1
InChIInChI=1S/C9H10N4S/c1-14-9-12-7(5-2-3-5)6(4-10)8(11)13-9/h5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyOLOSKQLVNGOFQE-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.53
Rot. Bonds2

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

4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 100776168) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID100776168
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)c(C#N)c(C2CC2)n1
InChIInChI=1S/C9H10N4S/c1-14-9-12-7(5-2-3-5)6(4-10)8(11)13-9/h5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyOLOSKQLVNGOFQE-UHFFFAOYSA-N
XLogP1.53
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile (CID 100776168) is 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(N)c(C#N)c(C2CC2)n1.
What is the InChIKey of 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is OLOSKQLVNGOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-9-12-7(5-2-3-5)6(4-10)8(11)13-9/h5H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 206.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 100776168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).