5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine

C17H21N5O3 — CID 146177529

IUPAC5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(OC3CCOC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21N5O3/c18-17-19-9-12(10-20-17)15-7-14(25-13-1-4-24-11-13)8-16(21-15)22-2-5-23-6-3-22/h7-10,13H,1-6,11H2,(H2,18,19,20)
InChIKeyBXETYAXZBHMEMY-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.13
Rot. Bonds4

About 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine

5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 146177529) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine
PubChem CID146177529
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(OC3CCOC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21N5O3/c18-17-19-9-12(10-20-17)15-7-14(25-13-1-4-24-11-13)8-16(21-15)22-2-5-23-6-3-22/h7-10,13H,1-6,11H2,(H2,18,19,20)
InChIKeyBXETYAXZBHMEMY-UHFFFAOYSA-N
XLogP1.13
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine (CID 146177529) is 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cc(OC3CCOC3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BXETYAXZBHMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-17-19-9-12(10-20-17)15-7-14(25-13-1-4-24-11-13)8-16(21-15)22-2-5-23-6-3-22/h7-10,13H,1-6,11H2,(H2,18,19,20).
What are the key properties of 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine?
5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-morpholin-4-yl-4-(oxolan-3-yloxy)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 146177529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).