4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

C11H18N4O3 — CID 136783269

IUPAC4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)OC(CN)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-7-4-15(5-8(3-12)18-7)10-9(17-2)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyIQRUSFWADFHZKY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.67
Rot. Bonds3

About 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136783269) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136783269
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)OC(CN)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-7-4-15(5-8(3-12)18-7)10-9(17-2)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyIQRUSFWADFHZKY-UHFFFAOYSA-N
XLogP-0.67
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136752208
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783270
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783271
5-amino-4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783272

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136783269) is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(C)OC(CN)C2)nc[nH]c1=O.
What is the InChIKey of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IQRUSFWADFHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-4-15(5-8(3-12)18-7)10-9(17-2)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136783269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).