4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one

C10H14N4O2 — CID 80654045

IUPAC4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one
SMILESCc1cc(N)nc(CN2CCOCC2=O)n1
InChIInChI=1S/C10H14N4O2/c1-7-4-8(11)13-9(12-7)5-14-2-3-16-6-10(14)15/h4H,2-3,5-6H2,1H3,(H2,11,12,13)
InChIKeyVSBKHZHKWHEJDU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.27
Rot. Bonds2

About 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one

4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one (PubChem CID 80654045) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one
PubChem CID80654045
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one
SMILESCc1cc(N)nc(CN2CCOCC2=O)n1
InChIInChI=1S/C10H14N4O2/c1-7-4-8(11)13-9(12-7)5-14-2-3-16-6-10(14)15/h4H,2-3,5-6H2,1H3,(H2,11,12,13)
InChIKeyVSBKHZHKWHEJDU-UHFFFAOYSA-N
XLogP-0.27
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5,5-dimethylazepan-2-one
CID 80654041
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
CID 80654500
4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
CID 79467885
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 80663115
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one
CID 80657377
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one
CID 80654108
6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine
CID 80657017
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine
CID 80657286
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513931
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863191

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one?
The IUPAC name of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one (CID 80654045) is 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one is Cc1cc(N)nc(CN2CCOCC2=O)n1.
What is the InChIKey of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one?
The InChIKey is VSBKHZHKWHEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-4-8(11)13-9(12-7)5-14-2-3-16-6-10(14)15/h4H,2-3,5-6H2,1H3,(H2,11,12,13).
What are the key properties of 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one?
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one has a molecular weight of 222.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one is sourced from PubChem (CID 80654045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).