5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206240

IUPAC5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-13-7-9-8-14-11(15-12(9)16)6-10-4-3-5-17-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyYSYQXMAPCLJHSP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.60
Rot. Bonds5

About 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 114206240) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID114206240
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-13-7-9-8-14-11(15-12(9)16)6-10-4-3-5-17-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyYSYQXMAPCLJHSP-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 82507785
6-oxo-2-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carbonitrile
CID 104189800
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
5-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104253721
5-(aminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104253722
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206264
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270
2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206284
2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206298
5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 114206346
5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 114206357

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 114206240) is 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is CCNCc1cnc(CC2CCCO2)[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YSYQXMAPCLJHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-13-7-9-8-14-11(15-12(9)16)6-10-4-3-5-17-10/h8,10,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).