1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine

C12H19N5 — CID 174573496

IUPAC1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
SMILESNC1CN(c2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C12H19N5/c13-10-7-17(8-10)12-6-11(14-9-15-12)16-4-2-1-3-5-16/h6,9-10H,1-5,7-8,13H2
InChIKeyKEGRGFGFUNBXEI-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.61
Rot. Bonds2

About 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine

1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine (PubChem CID 174573496) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
PubChem CID174573496
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
SMILESNC1CN(c2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C12H19N5/c13-10-7-17(8-10)12-6-11(14-9-15-12)16-4-2-1-3-5-16/h6,9-10H,1-5,7-8,13H2
InChIKeyKEGRGFGFUNBXEI-UHFFFAOYSA-N
XLogP0.61
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612
(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
3-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463815
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine?
The IUPAC name of 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine (CID 174573496) is 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine is NC1CN(c2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine?
The InChIKey is KEGRGFGFUNBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-10-7-17(8-10)12-6-11(14-9-15-12)16-4-2-1-3-5-16/h6,9-10H,1-5,7-8,13H2.
What are the key properties of 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine?
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine has a molecular weight of 233.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine is sourced from PubChem (CID 174573496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).