4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde

C7H9N3O2 — CID 91618563

IUPAC4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde
SMILESCOCc1ncc(C=O)c(N)n1
InChIInChI=1S/C7H9N3O2/c1-12-4-6-9-2-5(3-11)7(8)10-6/h2-3H,4H2,1H3,(H2,8,9,10)
InChIKeyKDLRCHQPMUPDML-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.02
Rot. Bonds3

About 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde

4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde (PubChem CID 91618563) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde
PubChem CID91618563
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde
SMILESCOCc1ncc(C=O)c(N)n1
InChIInChI=1S/C7H9N3O2/c1-12-4-6-9-2-5(3-11)7(8)10-6/h2-3H,4H2,1H3,(H2,8,9,10)
InChIKeyKDLRCHQPMUPDML-UHFFFAOYSA-N
XLogP0.02
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde (CID 91618563) is 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde is COCc1ncc(C=O)c(N)n1.
What is the InChIKey of 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde?
The InChIKey is KDLRCHQPMUPDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-4-6-9-2-5(3-11)7(8)10-6/h2-3H,4H2,1H3,(H2,8,9,10).
What are the key properties of 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde?
4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde has a molecular weight of 167.17 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methoxymethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 91618563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).