4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde

C7H7N3O2 — CID 105432573

IUPAC4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
SMILESNc1nc(C=O)nc2c1COC2
InChIInChI=1S/C7H7N3O2/c8-7-4-2-12-3-5(4)9-6(1-11)10-7/h1H,2-3H2,(H2,8,9,10)
InChIKeyKPJVOZFVIJXHNV-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.10
Rot. Bonds1

About 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde

4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde (PubChem CID 105432573) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
PubChem CID105432573
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
SMILESNc1nc(C=O)nc2c1COC2
InChIInChI=1S/C7H7N3O2/c8-7-4-2-12-3-5(4)9-6(1-11)10-7/h1H,2-3H2,(H2,8,9,10)
InChIKeyKPJVOZFVIJXHNV-UHFFFAOYSA-N
XLogP-0.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.10
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-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
CID 105437409
2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
CID 83862973
4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 83668205
2-piperidin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 105475953
2-(2-methylphenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83862354
hydron;1,3,5-triazine-2,4,6-tricarbaldehyde
CID 174463279
cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal
CID 177205652
2-(piperidin-3-ylmethyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 105494778
2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-amine
CID 83679999
methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate
CID 166365642
2-amino-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862998
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde?
The IUPAC name of 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde (CID 105432573) is 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde is Nc1nc(C=O)nc2c1COC2.
What is the InChIKey of 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde?
The InChIKey is KPJVOZFVIJXHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-7-4-2-12-3-5(4)9-6(1-11)10-7/h1H,2-3H2,(H2,8,9,10).
What are the key properties of 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde?
4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde has a molecular weight of 165.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 105432573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).