2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde

C10H14N4O3 — CID 22110115

IUPAC2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESCOc1nc(N)nc(N2CCOCC2)c1C=O
InChIInChI=1S/C10H14N4O3/c1-16-9-7(6-15)8(12-10(11)13-9)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyZWDVGBAIHWYPER-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.28
Rot. Bonds3

About 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde

2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde (PubChem CID 22110115) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde
PubChem CID22110115
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESCOc1nc(N)nc(N2CCOCC2)c1C=O
InChIInChI=1S/C10H14N4O3/c1-16-9-7(6-15)8(12-10(11)13-9)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyZWDVGBAIHWYPER-UHFFFAOYSA-N
XLogP-0.28
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde (CID 22110115) is 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde is COc1nc(N)nc(N2CCOCC2)c1C=O.
What is the InChIKey of 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
The InChIKey is ZWDVGBAIHWYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-16-9-7(6-15)8(12-10(11)13-9)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde?
2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde has a molecular weight of 238.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-6-morpholin-4-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 22110115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).