N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine

C11H17N5O — CID 144986403

IUPACN-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1cc(NC2CNC2)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O/c1-2-13-11(16-3-5-17-6-4-16)15-10(1)14-9-7-12-8-9/h1-2,9,12H,3-8H2,(H,13,14,15)
InChIKeyVXQGMONJGYCKDY-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.30
Rot. Bonds3

About N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine

N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 144986403) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID144986403
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1cc(NC2CNC2)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O/c1-2-13-11(16-3-5-17-6-4-16)15-10(1)14-9-7-12-8-9/h1-2,9,12H,3-8H2,(H,13,14,15)
InChIKeyVXQGMONJGYCKDY-UHFFFAOYSA-N
XLogP-0.30
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(2-Hydrazinylpyrimidin-4-yl)morpholine
CID 46779831
4-(2-Chloropyrimidin-4-yl)morpholine
CID 1714697
2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
4-N-(azetidin-3-yl)pyrimidine-2,4-diamine
CID 49857013
Cor 3286
CID 86184
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
1-Ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea
CID 134149319
4-(3-Aminoazetidin-1-yl)-n-(1-methylethyl)pyrimidin-2-amine
CID 58227196
4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227306

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine (CID 144986403) is N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine is c1cc(NC2CNC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is VXQGMONJGYCKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-13-11(16-3-5-17-6-4-16)15-10(1)14-9-7-12-8-9/h1-2,9,12H,3-8H2,(H,13,14,15).
What are the key properties of N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine?
N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 144986403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).