[2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone

C20H26N4O2 — CID 56874462

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCOC(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-21-20-22-13-17(14-23-20)19(25)24-11-12-26-18(15-24)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,13-14,18H,2,6,9-12,15H2,1H3,(H,21,22,23)
InChIKeyMNZMPPFDNOBLBG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.77
Rot. Bonds7

About [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone (PubChem CID 56874462) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone
PubChem CID56874462
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCOC(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-21-20-22-13-17(14-23-20)19(25)24-11-12-26-18(15-24)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,13-14,18H,2,6,9-12,15H2,1H3,(H,21,22,23)
InChIKeyMNZMPPFDNOBLBG-UHFFFAOYSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone (CID 56874462) is [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone is CCNc1ncc(C(=O)N2CCOC(CCCc3ccccc3)C2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The InChIKey is MNZMPPFDNOBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-21-20-22-13-17(14-23-20)19(25)24-11-12-26-18(15-24)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,13-14,18H,2,6,9-12,15H2,1H3,(H,21,22,23).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56874462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).