3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one

C13H20N4O2 — CID 50952532

IUPAC3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one
SMILESCCc1cnc(C)nc1NCCN1CCCOC1=O
InChIInChI=1S/C13H20N4O2/c1-3-11-9-15-10(2)16-12(11)14-5-7-17-6-4-8-19-13(17)18/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyRPDJVGMRSJRBDW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.60
Rot. Bonds5

About 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one

3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one (PubChem CID 50952532) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one
PubChem CID50952532
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one
SMILESCCc1cnc(C)nc1NCCN1CCCOC1=O
InChIInChI=1S/C13H20N4O2/c1-3-11-9-15-10(2)16-12(11)14-5-7-17-6-4-8-19-13(17)18/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyRPDJVGMRSJRBDW-UHFFFAOYSA-N
XLogP1.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 50955687
5-ethyl-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50959308
5-ethyl-2-methyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-amine
CID 50977220
1-{2-[(5-Ethyl-2-methylpyrimidin-4-YL)amino]ethyl}piperidin-4-OL
CID 50978918
4-(5-Ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50984715
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
Tert-butyl 4-[2-chloro-5-(propan-2-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 137963988
4-Fluoro-4-{[(5-methylpyrimidin-2-ylmethyl)-tertbutoxycarbonylamino]-methyl}-piperidine
CID 129851254
Tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 70827638
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
Ethyl 4-[(2-tert-butylpyrimidin-5-yl)methylamino]piperidine-1-carboxylate
CID 121554595

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one (CID 50952532) is 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one is CCc1cnc(C)nc1NCCN1CCCOC1=O.
What is the InChIKey of 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one?
The InChIKey is RPDJVGMRSJRBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-11-9-15-10(2)16-12(11)14-5-7-17-6-4-8-19-13(17)18/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one?
3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one has a molecular weight of 264.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 50952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).