4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one

C13H21N3O — CID 136998914

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CC2CCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-3-11-14-12(8-13(17)15-11)16(4-2)9-10-6-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyMYWSZOGHTAUFKZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds5

About 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136998914) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136998914
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CC2CCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-3-11-14-12(8-13(17)15-11)16(4-2)9-10-6-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyMYWSZOGHTAUFKZ-UHFFFAOYSA-N
XLogP1.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136998914) is 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CC)CC2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MYWSZOGHTAUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-14-12(8-13(17)15-11)16(4-2)9-10-6-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136998914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).