[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone

C19H23N5O3 — CID 146177533

IUPAC[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone
SMILESNc1ncc(-c2cc(C(=O)C3CCOCC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23N5O3/c20-19-21-11-15(12-22-19)16-9-14(18(25)13-1-5-26-6-2-13)10-17(23-16)24-3-7-27-8-4-24/h9-13H,1-8H2,(H2,20,21,22)
InChIKeyURYLXGQUXXMCGL-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.57
Rot. Bonds4

About [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone

[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone (PubChem CID 146177533) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone
PubChem CID146177533
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone
SMILESNc1ncc(-c2cc(C(=O)C3CCOCC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23N5O3/c20-19-21-11-15(12-22-19)16-9-14(18(25)13-1-5-26-6-2-13)10-17(23-16)24-3-7-27-8-4-24/h9-13H,1-8H2,(H2,20,21,22)
InChIKeyURYLXGQUXXMCGL-UHFFFAOYSA-N
XLogP1.57
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone (CID 146177533) is [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone is Nc1ncc(-c2cc(C(=O)C3CCOCC3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone?
The InChIKey is URYLXGQUXXMCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c20-19-21-11-15(12-22-19)16-9-14(18(25)13-1-5-26-6-2-13)10-17(23-16)24-3-7-27-8-4-24/h9-13H,1-8H2,(H2,20,21,22).
What are the key properties of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone?
[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone has a molecular weight of 369.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 146177533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).