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

C13H20N4O2 — CID 136783268

IUPAC4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(CN)O1
InChIInChI=1S/C13H20N4O2/c1-8-6-17(7-10(5-14)19-8)11-4-12(18)16-13(15-11)9-2-3-9/h4,8-10H,2-3,5-7,14H2,1H3,(H,15,16,18)
InChIKeyWUDTVQWTLNHTOL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.20
Rot. Bonds3

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

4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136783268) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136783268
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(CN)O1
InChIInChI=1S/C13H20N4O2/c1-8-6-17(7-10(5-14)19-8)11-4-12(18)16-13(15-11)9-2-3-9/h4,8-10H,2-3,5-7,14H2,1H3,(H,15,16,18)
InChIKeyWUDTVQWTLNHTOL-UHFFFAOYSA-N
XLogP0.20
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136783268) is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(CN)O1.
What is the InChIKey of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is WUDTVQWTLNHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-6-17(7-10(5-14)19-8)11-4-12(18)16-13(15-11)9-2-3-9/h4,8-10H,2-3,5-7,14H2,1H3,(H,15,16,18).
What are the key properties of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136783268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).