2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136978852

IUPAC2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESCNCC1CN(c2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C11H18N4O2/c1-8-13-10(5-11(16)14-8)15-3-4-17-9(7-15)6-12-2/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,14,16)
InChIKeyBMWRLACDIHHVAX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.50
Rot. Bonds3

About 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136978852) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136978852
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESCNCC1CN(c2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C11H18N4O2/c1-8-13-10(5-11(16)14-8)15-3-4-17-9(7-15)6-12-2/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,14,16)
InChIKeyBMWRLACDIHHVAX-UHFFFAOYSA-N
XLogP-0.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958918
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819
1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82308310
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one (CID 136978852) is 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one is CNCC1CN(c2cc(=O)[nH]c(C)n2)CCO1.
What is the InChIKey of 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is BMWRLACDIHHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-13-10(5-11(16)14-8)15-3-4-17-9(7-15)6-12-2/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).