1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione

C13H21N3O3 — CID 63810079

IUPAC1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCNCC2CCCO2)c1=O
InChIInChI=1S/C13H21N3O3/c1-2-15-7-5-12(17)16(13(15)18)8-6-14-10-11-4-3-9-19-11/h5,7,11,14H,2-4,6,8-10H2,1H3
InChIKeyVPFRGBRXAHSGEG-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.20
Rot. Bonds6

About 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione

1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 63810079) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
PubChem CID63810079
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCNCC2CCCO2)c1=O
InChIInChI=1S/C13H21N3O3/c1-2-15-7-5-12(17)16(13(15)18)8-6-14-10-11-4-3-9-19-11/h5,7,11,14H,2-4,6,8-10H2,1H3
InChIKeyVPFRGBRXAHSGEG-UHFFFAOYSA-N
XLogP-0.20
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 55156072
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
CID 63810571
3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione
CID 63810733
5-bromo-3-methyl-1-[2-(oxolan-2-ylmethylamino)ethyl]pyridin-2-one
CID 83134085
3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
CID 63810576
5-(diethylamino)-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione (CID 63810079) is 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione is CCn1ccc(=O)n(CCNCC2CCCO2)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is VPFRGBRXAHSGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-15-7-5-12(17)16(13(15)18)8-6-14-10-11-4-3-9-19-11/h5,7,11,14H,2-4,6,8-10H2,1H3.
What are the key properties of 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63810079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).