2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136989602

IUPAC2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CC2CC(O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-10-13-11(6-12(17)14-10)15(2)7-8-4-9(16)5-8/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyBNHLDANTRMZYEW-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.54
Rot. Bonds4

About 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136989602) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136989602
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CC2CC(O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-10-13-11(6-12(17)14-10)15(2)7-8-4-9(16)5-8/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyBNHLDANTRMZYEW-UHFFFAOYSA-N
XLogP0.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284162
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one (CID 136989602) is 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one is CCc1nc(N(C)CC2CC(O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is BNHLDANTRMZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10-13-11(6-12(17)14-10)15(2)7-8-4-9(16)5-8/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).