4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one

C10H16N4O — CID 137008600

IUPAC4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-2-8-12-9(3-10(15)13-8)14-5-7(4-11)6-14/h3,7H,2,4-6,11H2,1H3,(H,12,13,15)
InChIKeyIOXZVHDXULOFTL-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.27
Rot. Bonds3

About 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one

4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137008600) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137008600
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-2-8-12-9(3-10(15)13-8)14-5-7(4-11)6-14/h3,7H,2,4-6,11H2,1H3,(H,12,13,15)
InChIKeyIOXZVHDXULOFTL-UHFFFAOYSA-N
XLogP-0.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136981222
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977975
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136972852
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one (CID 137008600) is 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CC(CN)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is IOXZVHDXULOFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-8-12-9(3-10(15)13-8)14-5-7(4-11)6-14/h3,7H,2,4-6,11H2,1H3,(H,12,13,15).
What are the key properties of 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).