5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine

C16H21N7O2 — CID 59507937

IUPAC5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C16H21N7O2/c17-15-18-10-12(11-19-15)13-9-14(22-1-5-24-6-2-22)21-16(20-13)23-3-7-25-8-4-23/h9-11H,1-8H2,(H2,17,18,19)
InChIKeyWUQFEMGACGWUFQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.19
Rot. Bonds3

About 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 59507937) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine
PubChem CID59507937
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C16H21N7O2/c17-15-18-10-12(11-19-15)13-9-14(22-1-5-24-6-2-22)21-16(20-13)23-3-7-25-8-4-23/h9-11H,1-8H2,(H2,17,18,19)
InChIKeyWUQFEMGACGWUFQ-UHFFFAOYSA-N
XLogP0.19
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine (CID 59507937) is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is WUQFEMGACGWUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c17-15-18-10-12(11-19-15)13-9-14(22-1-5-24-6-2-22)21-16(20-13)23-3-7-25-8-4-23/h9-11H,1-8H2,(H2,17,18,19).
What are the key properties of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 59507937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).