1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione

C14H23N3O3 — CID 103914785

IUPAC1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC(NCc1cc(=O)n(C)c(=O)n1C)C1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-10(11-4-6-20-7-5-11)15-9-12-8-13(18)17(3)14(19)16(12)2/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyZAMMORYIIUJQKB-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.01
Rot. Bonds4

About 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 103914785) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID103914785
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC(NCc1cc(=O)n(C)c(=O)n1C)C1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-10(11-4-6-20-7-5-11)15-9-12-8-13(18)17(3)14(19)16(12)2/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyZAMMORYIIUJQKB-UHFFFAOYSA-N
XLogP-0.01
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide
CID 61464351
6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 81352487
1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione
CID 94532848
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769024
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 103914785) is 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione is CC(NCc1cc(=O)n(C)c(=O)n1C)C1CCOCC1.
What is the InChIKey of 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is ZAMMORYIIUJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(11-4-6-20-7-5-11)15-9-12-8-13(18)17(3)14(19)16(12)2/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103914785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).