2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile

C9H7N3O — CID 82411697

IUPAC2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1ncc2c(C#N)c(C)oc2n1
InChIInChI=1S/C9H7N3O/c1-5-7(3-10)8-4-11-6(2)12-9(8)13-5/h4H,1-2H3
InChIKeyBTOSLIXJYCFHJW-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.71
Rot. Bonds

About 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile

2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 82411697) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
PubChem CID82411697
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1ncc2c(C#N)c(C)oc2n1
InChIInChI=1S/C9H7N3O/c1-5-7(3-10)8-4-11-6(2)12-9(8)13-5/h4H,1-2H3
InChIKeyBTOSLIXJYCFHJW-UHFFFAOYSA-N
XLogP1.71
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethylpyrano[2,3-d]pyrimidin-7-one
CID 175809777
4,6-dimethylfuro[2,3-b]pyridine-5-carbonitrile
CID 176758393
2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 82652088
2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane
CID 143085645
2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 82397488
2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 82655671
4-tert-butylperoxy-2-methylpyrimidine-5-carbonitrile
CID 12677182
7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile
CID 71417952
5-methyloxadiazolo[5,4-d]pyrimidine
CID 130251751
2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
CID 130048004
1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
CID 58861824
5,7-dimethylimidazo[1,2-c]pyrimidine-8-carbonitrile
CID 177024639

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile (CID 82411697) is 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile is Cc1ncc2c(C#N)c(C)oc2n1.
What is the InChIKey of 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is BTOSLIXJYCFHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-5-7(3-10)8-4-11-6(2)12-9(8)13-5/h4H,1-2H3.
What are the key properties of 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile?
2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 82411697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).