5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one

C9H14N4O3 — CID 114586612

IUPAC5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CNCCO2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4,10H2,(H,12,13,14)
InChIKeyZYTULDTWLKMOEY-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.28
Rot. Bonds3

About 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one

5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586612) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586612
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CNCCO2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4,10H2,(H,12,13,14)
InChIKeyZYTULDTWLKMOEY-UHFFFAOYSA-N
XLogP-1.28
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586606
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
5-iodo-4-(morpholin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136979027
2-[(3-bromo-4-methyl-2-pyridinyl)oxymethyl]morpholine
CID 106878636
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114469123
2-[(3,6-dichloropyridazin-4-yl)oxymethyl]morpholine
CID 114468893
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
CID 170342980
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586612) is 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one is Nc1c(OCC2CNCCO2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is ZYTULDTWLKMOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4,10H2,(H,12,13,14).
What are the key properties of 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 226.24 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).