[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone

C17H24N4O2 — CID 109251157

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCCC2=CCCCC2)nc1)N1CCOCC1
InChIInChI=1S/C17H24N4O2/c22-16(21-8-10-23-11-9-21)15-12-19-17(20-13-15)18-7-6-14-4-2-1-3-5-14/h4,12-13H,1-3,5-11H2,(H,18,19,20)
InChIKeySQPFREFBLFQPEG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.25
Rot. Bonds5

About [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone

[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 109251157) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID109251157
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCCC2=CCCCC2)nc1)N1CCOCC1
InChIInChI=1S/C17H24N4O2/c22-16(21-8-10-23-11-9-21)15-12-19-17(20-13-15)18-7-6-14-4-2-1-3-5-14/h4,12-13H,1-3,5-11H2,(H,18,19,20)
InChIKeySQPFREFBLFQPEG-UHFFFAOYSA-N
XLogP2.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-[2-(cyclohexen-1-yl)ethylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109275511
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
(4-methylpiperazin-1-yl)-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109253173
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 75402193
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513
[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152726
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 109251157) is [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone is O=C(c1cnc(NCCC2=CCCCC2)nc1)N1CCOCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is SQPFREFBLFQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(21-8-10-23-11-9-21)15-12-19-17(20-13-15)18-7-6-14-4-2-1-3-5-14/h4,12-13H,1-3,5-11H2,(H,18,19,20).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 316.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109251157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).