N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine

C11H18N4O — CID 83822883

IUPACN'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
SMILESNCCN(c1cncnc1)C1CCOCC1
InChIInChI=1S/C11H18N4O/c12-3-4-15(10-1-5-16-6-2-10)11-7-13-9-14-8-11/h7-10H,1-6,12H2
InChIKeyCUTGBQWCPSOIAB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.42
Rot. Bonds4

About N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine

N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine (PubChem CID 83822883) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
PubChem CID83822883
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
SMILESNCCN(c1cncnc1)C1CCOCC1
InChIInChI=1S/C11H18N4O/c12-3-4-15(10-1-5-16-6-2-10)11-7-13-9-14-8-11/h7-10H,1-6,12H2
InChIKeyCUTGBQWCPSOIAB-UHFFFAOYSA-N
XLogP0.42
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
The IUPAC name of N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine (CID 83822883) is N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine.
What is the SMILES notation for N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
The canonical SMILES for N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine is NCCN(c1cncnc1)C1CCOCC1.
What is the InChIKey of N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
The InChIKey is CUTGBQWCPSOIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-3-4-15(10-1-5-16-6-2-10)11-7-13-9-14-8-11/h7-10H,1-6,12H2.
What are the key properties of N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine is sourced from PubChem (CID 83822883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).