N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine

C13H21N5 — CID 116974693

IUPACN-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(c2cnc(NC3CNC3)nc2)CC1
InChIInChI=1S/C13H21N5/c1-18-4-2-10(3-5-18)11-6-15-13(16-7-11)17-12-8-14-9-12/h6-7,10,12,14H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeyHXWFHLIZRZLEJB-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.67
Rot. Bonds3

About N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine

N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 116974693) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID116974693
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(c2cnc(NC3CNC3)nc2)CC1
InChIInChI=1S/C13H21N5/c1-18-4-2-10(3-5-18)11-6-15-13(16-7-11)17-12-8-14-9-12/h6-7,10,12,14H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeyHXWFHLIZRZLEJB-UHFFFAOYSA-N
XLogP0.67
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylpiperidin-4-yl)-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
CID 155740022
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
CID 171069962
3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974501
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
3-methyl-5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine
CID 170588740
1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 155740958
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine (CID 116974693) is N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine is CN1CCC(c2cnc(NC3CNC3)nc2)CC1.
What is the InChIKey of N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is HXWFHLIZRZLEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-18-4-2-10(3-5-18)11-6-15-13(16-7-11)17-12-8-14-9-12/h6-7,10,12,14H,2-5,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 116974693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).