2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile

C9H6N4OS — CID 107551522

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1coc(Sc2nccc(C#N)n2)n1
InChIInChI=1S/C9H6N4OS/c1-6-5-14-9(12-6)15-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3
InChIKeyBFMKNZSLPQLYBL-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.80
Rot. Bonds2

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile (PubChem CID 107551522) has the molecular formula C9H6N4OS and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
PubChem CID107551522
Molecular FormulaC9H6N4OS
Molecular Weight218.24 g/mol
Exact Mass218.03
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1coc(Sc2nccc(C#N)n2)n1
InChIInChI=1S/C9H6N4OS/c1-6-5-14-9(12-6)15-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3
InChIKeyBFMKNZSLPQLYBL-UHFFFAOYSA-N
XLogP1.80
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 106922418
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551348
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551920
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551342
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401
2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
CID 107551327
2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
CID 107552913
4-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106921522
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 106923724
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551300
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551304

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile (CID 107551522) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile is Cc1coc(Sc2nccc(C#N)n2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The InChIKey is BFMKNZSLPQLYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4OS/c1-6-5-14-9(12-6)15-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile has a molecular weight of 218.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).