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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Related Compounds

4-amino-6-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile
CID 100776233
4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100775975
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11053865
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337
2,4-diamino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 16795548
4-amino-6-(3-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 14579964
2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
CID 69051761
6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
CID 163870027
6-amino-2-cyclopropylpyridine-3-carbonitrile
CID 118665198
4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
CID 100775741
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
CID 116646963
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 143039438

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).