2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde

C8H9N3O2 — CID 83862973

IUPAC2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
SMILESNc1nc(C=O)c2c(n1)COCC2
InChIInChI=1S/C8H9N3O2/c9-8-10-6(3-12)5-1-2-13-4-7(5)11-8/h3H,1-2,4H2,(H2,9,10,11)
InChIKeyBMQRODJUFKJWNK-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.06
Rot. Bonds1

About 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde

2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde (PubChem CID 83862973) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
PubChem CID83862973
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
SMILESNc1nc(C=O)c2c(n1)COCC2
InChIInChI=1S/C8H9N3O2/c9-8-10-6(3-12)5-1-2-13-4-7(5)11-8/h3H,1-2,4H2,(H2,9,10,11)
InChIKeyBMQRODJUFKJWNK-UHFFFAOYSA-N
XLogP-0.06
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.06
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

2-amino-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862998
2-amino-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-4-carbaldehyde
CID 83862997
4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
CID 105437409
4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 83668205
4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
CID 105432573
4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine
CID 158999257
2-oxo-5,6,8,9-tetrahydro-1H-oxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862991
4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine
CID 105448888
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
CID 54109780
1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 112711170
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 105461799

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde?
The IUPAC name of 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde (CID 83862973) is 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde is Nc1nc(C=O)c2c(n1)COCC2.
What is the InChIKey of 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde?
The InChIKey is BMQRODJUFKJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8-10-6(3-12)5-1-2-13-4-7(5)11-8/h3H,1-2,4H2,(H2,9,10,11).
What are the key properties of 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde?
2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde has a molecular weight of 179.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83862973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).