[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine

C15H25N5O3 — CID 58531807

IUPAC[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
SMILESNCc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C15H25N5O3/c16-12-13-11-14(20-4-8-22-9-5-20)18-15(17-13)23-10-3-19-1-6-21-7-2-19/h11H,1-10,12,16H2
InChIKeyYIMCRBMPTJORGZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.52
Rot. Bonds6

About [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine

[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine (PubChem CID 58531807) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
PubChem CID58531807
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
SMILESNCc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C15H25N5O3/c16-12-13-11-14(20-4-8-22-9-5-20)18-15(17-13)23-10-3-19-1-6-21-7-2-19/h11H,1-10,12,16H2
InChIKeyYIMCRBMPTJORGZ-UHFFFAOYSA-N
XLogP-0.52
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine (CID 58531807) is [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine is NCc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine?
The InChIKey is YIMCRBMPTJORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c16-12-13-11-14(20-4-8-22-9-5-20)18-15(17-13)23-10-3-19-1-6-21-7-2-19/h11H,1-10,12,16H2.
What are the key properties of [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine?
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine has a molecular weight of 323.40 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 58531807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).