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

C13H22N6 — CID 144655908

IUPACN-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2nccc(NC3CNC3)n2)CC1
InChIInChI=1S/C13H22N6/c1-2-18-5-7-19(8-6-18)13-15-4-3-12(17-13)16-11-9-14-10-11/h3-4,11,14H,2,5-10H2,1H3,(H,15,16,17)
InChIKeyDZRKEWKKPLASKN-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.00
Rot. Bonds4

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

N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 144655908) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID144655908
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2nccc(NC3CNC3)n2)CC1
InChIInChI=1S/C13H22N6/c1-2-18-5-7-19(8-6-18)13-15-4-3-12(17-13)16-11-9-14-10-11/h3-4,11,14H,2,5-10H2,1H3,(H,15,16,17)
InChIKeyDZRKEWKKPLASKN-UHFFFAOYSA-N
XLogP0.00
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (CID 144655908) is N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is CCN1CCN(c2nccc(NC3CNC3)n2)CC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is DZRKEWKKPLASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-18-5-7-19(8-6-18)13-15-4-3-12(17-13)16-11-9-14-10-11/h3-4,11,14H,2,5-10H2,1H3,(H,15,16,17).
What are the key properties of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 0.00, 4 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-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 144655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).