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

C11H12N6 — CID 110089639

IUPAC4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESc1cnc(Nc2nccc(C3CNC3)n2)nc1
InChIInChI=1S/C11H12N6/c1-3-13-10(14-4-1)17-11-15-5-2-9(16-11)8-6-12-7-8/h1-5,8,12H,6-7H2,(H,13,14,15,16,17)
InChIKeyHWRDFOSEEAGETA-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.70
Rot. Bonds3

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

4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine (PubChem CID 110089639) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
PubChem CID110089639
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESc1cnc(Nc2nccc(C3CNC3)n2)nc1
InChIInChI=1S/C11H12N6/c1-3-13-10(14-4-1)17-11-15-5-2-9(16-11)8-6-12-7-8/h1-5,8,12H,6-7H2,(H,13,14,15,16,17)
InChIKeyHWRDFOSEEAGETA-UHFFFAOYSA-N
XLogP0.70
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110089633
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
CID 171688132
2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 171687270
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200
6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 124957141
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine (CID 110089639) is 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine is c1cnc(Nc2nccc(C3CNC3)n2)nc1.
What is the InChIKey of 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine?
The InChIKey is HWRDFOSEEAGETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-3-13-10(14-4-1)17-11-15-5-2-9(16-11)8-6-12-7-8/h1-5,8,12H,6-7H2,(H,13,14,15,16,17).
What are the key properties of 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine?
4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine has a molecular weight of 228.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 110089639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).