4-(azetidin-1-yl)pyrimidine-2-carbonitrile

C8H8N4 — CID 126984085

IUPAC4-(azetidin-1-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCC2)n1
InChIInChI=1S/C8H8N4/c9-6-7-10-3-2-8(11-7)12-4-1-5-12/h2-3H,1,4-5H2
InChIKeyBTIGVKBAQQTTIP-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.56
Rot. Bonds1

About 4-(azetidin-1-yl)pyrimidine-2-carbonitrile

4-(azetidin-1-yl)pyrimidine-2-carbonitrile (PubChem CID 126984085) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(azetidin-1-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(azetidin-1-yl)pyrimidine-2-carbonitrile
PubChem CID126984085
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-(azetidin-1-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCC2)n1
InChIInChI=1S/C8H8N4/c9-6-7-10-3-2-8(11-7)12-4-1-5-12/h2-3H,1,4-5H2
InChIKeyBTIGVKBAQQTTIP-UHFFFAOYSA-N
XLogP0.56
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-ylpyrimidine-2-carbonitrile
CID 130587546
4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
CID 130587758
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile
CID 59569258
4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 135231331
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile
CID 171495097
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
CID 175640213
4-[(3R)-3-(2-bromophenyl)sulfonylpyrrolidin-1-yl]pyrimidine-2-carbonitrile
CID 57335494
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(azetidin-1-yl)pyrimidine-2-carbonitrile (CID 126984085) is 4-(azetidin-1-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(azetidin-1-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(azetidin-1-yl)pyrimidine-2-carbonitrile is N#Cc1nccc(N2CCC2)n1.
What is the InChIKey of 4-(azetidin-1-yl)pyrimidine-2-carbonitrile?
The InChIKey is BTIGVKBAQQTTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-6-7-10-3-2-8(11-7)12-4-1-5-12/h2-3H,1,4-5H2.
What are the key properties of 4-(azetidin-1-yl)pyrimidine-2-carbonitrile?
4-(azetidin-1-yl)pyrimidine-2-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 126984085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).