4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 137313956

IUPAC4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(Cc1cc(=O)[nH]c(C)n1)CC1CCCCO1
InChIInChI=1S/C14H23N3O2/c1-3-17(10-13-6-4-5-7-19-13)9-12-8-14(18)16-11(2)15-12/h8,13H,3-7,9-10H2,1-2H3,(H,15,16,18)
InChIKeyBCCLJULMCBYYRY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds5

About 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one

4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137313956) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137313956
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(Cc1cc(=O)[nH]c(C)n1)CC1CCCCO1
InChIInChI=1S/C14H23N3O2/c1-3-17(10-13-6-4-5-7-19-13)9-12-8-14(18)16-11(2)15-12/h8,13H,3-7,9-10H2,1-2H3,(H,15,16,18)
InChIKeyBCCLJULMCBYYRY-UHFFFAOYSA-N
XLogP1.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 95197102
3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
CID 29105671
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 26316967
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
N-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245776

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one (CID 137313956) is 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one is CCN(Cc1cc(=O)[nH]c(C)n1)CC1CCCCO1.
What is the InChIKey of 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BCCLJULMCBYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17(10-13-6-4-5-7-19-13)9-12-8-14(18)16-11(2)15-12/h8,13H,3-7,9-10H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137313956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).