2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde

C10H14N4O — CID 164539026

IUPAC2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde
SMILESCNC1CN(c2ccnc(CC=O)n2)C1
InChIInChI=1S/C10H14N4O/c1-11-8-6-14(7-8)10-2-4-12-9(13-10)3-5-15/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyQIJOQSUKVOJWRL-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.37
Rot. Bonds4

About 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde

2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde (PubChem CID 164539026) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde
PubChem CID164539026
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde
SMILESCNC1CN(c2ccnc(CC=O)n2)C1
InChIInChI=1S/C10H14N4O/c1-11-8-6-14(7-8)10-2-4-12-9(13-10)3-5-15/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyQIJOQSUKVOJWRL-UHFFFAOYSA-N
XLogP-0.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde?
The IUPAC name of 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde (CID 164539026) is 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde is CNC1CN(c2ccnc(CC=O)n2)C1.
What is the InChIKey of 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde?
The InChIKey is QIJOQSUKVOJWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-11-8-6-14(7-8)10-2-4-12-9(13-10)3-5-15/h2,4-5,8,11H,3,6-7H2,1H3.
What are the key properties of 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde?
2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde has a molecular weight of 206.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde is sourced from PubChem (CID 164539026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).