2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine

C9H14N4 — CID 130965270

IUPAC2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine
SMILESNCCC1CN(c2ncccn2)C1
InChIInChI=1S/C9H14N4/c10-3-2-8-6-13(7-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2
InChIKeyQAKHODYRTQOVTH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.26
Rot. Bonds3

About 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine

2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine (PubChem CID 130965270) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine
PubChem CID130965270
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine
SMILESNCCC1CN(c2ncccn2)C1
InChIInChI=1S/C9H14N4/c10-3-2-8-6-13(7-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2
InChIKeyQAKHODYRTQOVTH-UHFFFAOYSA-N
XLogP0.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 72922661
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 154899337
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
3-pyrimidin-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 152707227
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine?
The IUPAC name of 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine (CID 130965270) is 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine is NCCC1CN(c2ncccn2)C1.
What is the InChIKey of 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine?
The InChIKey is QAKHODYRTQOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-3-2-8-6-13(7-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2.
What are the key properties of 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine?
2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine has a molecular weight of 178.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine is sourced from PubChem (CID 130965270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).