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

C9H14N4O — CID 90245834

IUPAC[2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol
SMILESCNC(O)c1ccnc(N2CCC2)n1
InChIInChI=1S/C9H14N4O/c1-10-8(14)7-3-4-11-9(12-7)13-5-2-6-13/h3-4,8,10,14H,2,5-6H2,1H3
InChIKeyPEOKGPXPRNZCCS-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.10
Rot. Bonds3

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

[2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol (PubChem CID 90245834) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol.

Molecular Properties

Compound Name[2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol
PubChem CID90245834
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol
SMILESCNC(O)c1ccnc(N2CCC2)n1
InChIInChI=1S/C9H14N4O/c1-10-8(14)7-3-4-11-9(12-7)13-5-2-6-13/h3-4,8,10,14H,2,5-6H2,1H3
InChIKeyPEOKGPXPRNZCCS-UHFFFAOYSA-N
XLogP-0.10
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol?
The IUPAC name of [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol (CID 90245834) is [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol.
What is the SMILES notation for [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol?
The canonical SMILES for [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol is CNC(O)c1ccnc(N2CCC2)n1.
What is the InChIKey of [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol?
The InChIKey is PEOKGPXPRNZCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-10-8(14)7-3-4-11-9(12-7)13-5-2-6-13/h3-4,8,10,14H,2,5-6H2,1H3.
What are the key properties of [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol?
[2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol has a molecular weight of 194.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)pyrimidin-4-yl]-(methylamino)methanol is sourced from PubChem (CID 90245834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).