2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

C12H21N3O2 — CID 114206207

IUPAC2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C(OC)C(C)(C)C)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-12(2,3)9(17-5)10-14-7-8(6-13-4)11(16)15-10/h7,9,13H,6H2,1-5H3,(H,14,15,16)
InChIKeyAEZDLXYWVZCLNE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.22
Rot. Bonds4

About 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206207) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206207
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C(OC)C(C)(C)C)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-12(2,3)9(17-5)10-14-7-8(6-13-4)11(16)15-10/h7,9,13H,6H2,1-5H3,(H,14,15,16)
InChIKeyAEZDLXYWVZCLNE-UHFFFAOYSA-N
XLogP1.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 104189959
5-(aminomethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104189963
5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104190010
5-(aminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104253722
5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 113385101
5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 113385102

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 114206207) is 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cnc(C(OC)C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is AEZDLXYWVZCLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)9(17-5)10-14-7-8(6-13-4)11(16)15-10/h7,9,13H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).