2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine

C13H21N5 — CID 144655724

IUPAC2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC2CNC2)nc(N2CCC2)n1
InChIInChI=1S/C13H21N5/c1-9(2)11-6-12(15-10-7-14-8-10)17-13(16-11)18-4-3-5-18/h6,9-10,14H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHYCYXGJGHQYVJF-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.19
Rot. Bonds4

About 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine

2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 144655724) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID144655724
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC2CNC2)nc(N2CCC2)n1
InChIInChI=1S/C13H21N5/c1-9(2)11-6-12(15-10-7-14-8-10)17-13(16-11)18-4-3-5-18/h6,9-10,14H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHYCYXGJGHQYVJF-UHFFFAOYSA-N
XLogP1.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine (CID 144655724) is 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NC2CNC2)nc(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HYCYXGJGHQYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)11-6-12(15-10-7-14-8-10)17-13(16-11)18-4-3-5-18/h6,9-10,14H,3-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine?
2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 144655724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).