5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 113385101

IUPAC5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2ncc(CN)c(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-2-15-3-4-17-9(7-15)10-13-6-8(5-12)11(16)14-10/h6,9H,2-5,7,12H2,1H3,(H,13,14,16)
InChIKeyNKMSVAWTZVXALK-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.38
Rot. Bonds3

About 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 113385101) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID113385101
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2ncc(CN)c(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-2-15-3-4-17-9(7-15)10-13-6-8(5-12)11(16)14-10/h6,9H,2-5,7,12H2,1H3,(H,13,14,16)
InChIKeyNKMSVAWTZVXALK-UHFFFAOYSA-N
XLogP-0.38
TPSA84.24 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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56869394
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549658
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
2-morpholin-2-yl-1H-pyrimidin-6-one
CID 129982008
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077278
4-hydroxy-5-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077480
5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79078075
4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79657438

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 113385101) is 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one is CCN1CCOC(c2ncc(CN)c(=O)[nH]2)C1.
What is the InChIKey of 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is NKMSVAWTZVXALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-15-3-4-17-9(7-15)10-13-6-8(5-12)11(16)14-10/h6,9H,2-5,7,12H2,1H3,(H,13,14,16).
What are the key properties of 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 113385101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).