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

C17H28N4O2 — CID 56863342

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCOC(CCCC(C)C)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-18-17-19-10-14(11-20-17)16(22)21-8-9-23-15(12-21)7-5-6-13(2)3/h10-11,13,15H,4-9,12H2,1-3H3,(H,18,19,20)
InChIKeyHRPYIVLIVSPWEM-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.58
Rot. Bonds7

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

[2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 56863342) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID56863342
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCOC(CCCC(C)C)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-18-17-19-10-14(11-20-17)16(22)21-8-9-23-15(12-21)7-5-6-13(2)3/h10-11,13,15H,4-9,12H2,1-3H3,(H,18,19,20)
InChIKeyHRPYIVLIVSPWEM-UHFFFAOYSA-N
XLogP2.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.58
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-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 56863342) is [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone is CCNc1ncc(C(=O)N2CCOC(CCCC(C)C)C2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is HRPYIVLIVSPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-18-17-19-10-14(11-20-17)16(22)21-8-9-23-15(12-21)7-5-6-13(2)3/h10-11,13,15H,4-9,12H2,1-3H3,(H,18,19,20).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 2.58, 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-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56863342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).