2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde

C11H15N3O3 — CID 157118463

IUPAC2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde
SMILESCn1c(CC=O)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H15N3O3/c1-13-9(2-5-15)12-10(8-11(13)16)14-3-6-17-7-4-14/h5,8H,2-4,6-7H2,1H3
InChIKeyAHRHNJKQLOEMGN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.64
Rot. Bonds3

About 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde

2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde (PubChem CID 157118463) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde
PubChem CID157118463
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde
SMILESCn1c(CC=O)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H15N3O3/c1-13-9(2-5-15)12-10(8-11(13)16)14-3-6-17-7-4-14/h5,8H,2-4,6-7H2,1H3
InChIKeyAHRHNJKQLOEMGN-UHFFFAOYSA-N
XLogP-0.64
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde?
The IUPAC name of 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde (CID 157118463) is 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde is Cn1c(CC=O)nc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde?
The InChIKey is AHRHNJKQLOEMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-9(2-5-15)12-10(8-11(13)16)14-3-6-17-7-4-14/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde?
2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde has a molecular weight of 237.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetaldehyde is sourced from PubChem (CID 157118463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).