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

C20H19N5O2 — CID 146173102

IUPAC[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone
SMILESNc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H19N5O2/c21-20-22-12-16(13-23-20)17-10-15(19(26)14-4-2-1-3-5-14)11-18(24-17)25-6-8-27-9-7-25/h1-5,10-13H,6-9H2,(H2,21,22,23)
InChIKeyLZKXBBBGUGTFQS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.19
Rot. Bonds4

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

[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone (PubChem CID 146173102) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone
PubChem CID146173102
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone
SMILESNc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H19N5O2/c21-20-22-12-16(13-23-20)17-10-15(19(26)14-4-2-1-3-5-14)11-18(24-17)25-6-8-27-9-7-25/h1-5,10-13H,6-9H2,(H2,21,22,23)
InChIKeyLZKXBBBGUGTFQS-UHFFFAOYSA-N
XLogP2.19
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone?
The IUPAC name of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone (CID 146173102) is [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone.
What is the SMILES notation for [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone?
The canonical SMILES for [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone is Nc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone?
The InChIKey is LZKXBBBGUGTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-20-22-12-16(13-23-20)17-10-15(19(26)14-4-2-1-3-5-14)11-18(24-17)25-6-8-27-9-7-25/h1-5,10-13H,6-9H2,(H2,21,22,23).
What are the key properties of [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone?
[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone has a molecular weight of 361.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone is sourced from PubChem (CID 146173102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).