2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

C12H21N3O2 — CID 114206193

IUPAC2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1ncc(CNC)c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-12(6-2,17-4)11-14-8-9(7-13-3)10(16)15-11/h8,13H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOUQDBPTVDDZVQI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.15
Rot. Bonds6

About 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206193) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206193
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1ncc(CNC)c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-12(6-2,17-4)11-14-8-9(7-13-3)10(16)15-11/h8,13H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOUQDBPTVDDZVQI-UHFFFAOYSA-N
XLogP1.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
5-(aminomethyl)-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 113558363
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206190
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192
2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206201
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207
2-(2-ethoxybutan-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206217
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206228

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 114206193) is 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is CCC(CC)(OC)c1ncc(CNC)c(=O)[nH]1.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is OUQDBPTVDDZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-12(6-2,17-4)11-14-8-9(7-13-3)10(16)15-11/h8,13H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).