4-amino-6-methoxypyrimidine-5-carbaldehyde

C6H7N3O2 — CID 71695332

IUPAC4-amino-6-methoxypyrimidine-5-carbaldehyde
SMILESCOc1ncnc(N)c1C=O
InChIInChI=1S/C6H7N3O2/c1-11-6-4(2-10)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
InChIKeyMHIWGEBSPSJHIW-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.12
Rot. Bonds2

About 4-amino-6-methoxypyrimidine-5-carbaldehyde

4-amino-6-methoxypyrimidine-5-carbaldehyde (PubChem CID 71695332) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-amino-6-methoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-methoxypyrimidine-5-carbaldehyde
PubChem CID71695332
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4-amino-6-methoxypyrimidine-5-carbaldehyde
SMILESCOc1ncnc(N)c1C=O
InChIInChI=1S/C6H7N3O2/c1-11-6-4(2-10)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
InChIKeyMHIWGEBSPSJHIW-UHFFFAOYSA-N
XLogP-0.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethoxypyrimidine-5-carbaldehyde
CID 4436645
2-Imino-6-methoxy-4-(pyrrolidin-1-yl)-1,2-dihydropyrimidine-5-carbaldehyde
CID 16227978
4-Methoxypyrimidine-5-carbaldehyde
CID 19875763
2-Amino-4-methoxy-6-(morpholin-4-yl)pyrimidine-5-carbaldehyde
CID 22110115
2,4-Dimethoxypyrimidine-5-carbaldehyde
CID 597782
4-Chloro-2,6-dimethoxypyrimidine-5-carbaldehyde
CID 10976550
2-Amino-4,6-dimethoxy-5-formylpyrimidin
CID 11701146
4-[Allyl(methyl)amino]-6-methoxypyrimidine-5-carbaldehyde
CID 124706509
5-Acetyl-4-amino-6-methoxypyrimidine
CID 137797087
4-Methoxy-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 83882639
Gdavtjvueszces-uhfffaoysa-
CID 15349634
Gofmqhiuqhunbe-uhfffaoysa-
CID 15349635

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-6-methoxypyrimidine-5-carbaldehyde (CID 71695332) is 4-amino-6-methoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-6-methoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-6-methoxypyrimidine-5-carbaldehyde is COc1ncnc(N)c1C=O.
What is the InChIKey of 4-amino-6-methoxypyrimidine-5-carbaldehyde?
The InChIKey is MHIWGEBSPSJHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-6-4(2-10)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9).
What are the key properties of 4-amino-6-methoxypyrimidine-5-carbaldehyde?
4-amino-6-methoxypyrimidine-5-carbaldehyde has a molecular weight of 153.14 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 71695332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).