2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine

C18H23N5O2 — CID 112886633

IUPAC2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESc1ccc(N2CCOCC2)c(Nc2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N5O2/c1-2-4-16(22-7-11-24-12-8-22)15(3-1)20-17-5-6-19-18(21-17)23-9-13-25-14-10-23/h1-6H,7-14H2,(H,19,20,21)
InChIKeySTVZEIVDOBRAQE-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.89
Rot. Bonds4

About 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine

2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 112886633) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID112886633
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESc1ccc(N2CCOCC2)c(Nc2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N5O2/c1-2-4-16(22-7-11-24-12-8-22)15(3-1)20-17-5-6-19-18(21-17)23-9-13-25-14-10-23/h1-6H,7-14H2,(H,19,20,21)
InChIKeySTVZEIVDOBRAQE-UHFFFAOYSA-N
XLogP1.89
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 112886633) is 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine is c1ccc(N2CCOCC2)c(Nc2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is STVZEIVDOBRAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-4-16(22-7-11-24-12-8-22)15(3-1)20-17-5-6-19-18(21-17)23-9-13-25-14-10-23/h1-6H,7-14H2,(H,19,20,21).
What are the key properties of 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112886633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).