5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine

C9H11N3 — CID 139948506

IUPAC5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine
SMILESCN1CC/C1=C\c1cncnc1
InChIInChI=1S/C9H11N3/c1-12-3-2-9(12)4-8-5-10-7-11-6-8/h4-7H,2-3H2,1H3/b9-4+
InChIKeyHTGSHJXSSWMQQW-RUDMXATFSA-N
MW161.21 g/mol
LogP1.15
Rot. Bonds1

About 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine

5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine (PubChem CID 139948506) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine
PubChem CID139948506
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine
SMILESCN1CC/C1=C\c1cncnc1
InChIInChI=1S/C9H11N3/c1-12-3-2-9(12)4-8-5-10-7-11-6-8/h4-7H,2-3H2,1H3/b9-4+
InChIKeyHTGSHJXSSWMQQW-RUDMXATFSA-N
XLogP1.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine?
The IUPAC name of 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine (CID 139948506) is 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine.
What is the SMILES notation for 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine?
The canonical SMILES for 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine is CN1CC/C1=C\c1cncnc1.
What is the InChIKey of 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine?
The InChIKey is HTGSHJXSSWMQQW-RUDMXATFSA-N. The full InChI is InChI=1S/C9H11N3/c1-12-3-2-9(12)4-8-5-10-7-11-6-8/h4-7H,2-3H2,1H3/b9-4+.
What are the key properties of 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine?
5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(1-methylazetidin-2-ylidene)methyl]pyrimidine is sourced from PubChem (CID 139948506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).