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

C9H10N2O2 — CID 105437409

IUPAC4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
SMILESCc1nc(C=O)nc2c1CCOC2
InChIInChI=1S/C9H10N2O2/c1-6-7-2-3-13-5-8(7)11-9(4-12)10-6/h4H,2-3,5H2,1H3
InChIKeyMSJDFDFOKJGWBO-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.67
Rot. Bonds1

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

4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde (PubChem CID 105437409) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
PubChem CID105437409
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
SMILESCc1nc(C=O)nc2c1CCOC2
InChIInChI=1S/C9H10N2O2/c1-6-7-2-3-13-5-8(7)11-9(4-12)10-6/h4H,2-3,5H2,1H3
InChIKeyMSJDFDFOKJGWBO-UHFFFAOYSA-N
XLogP0.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
CID 105432573
2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
CID 83862973
3-(4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105460666
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-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
hydron;1,3,5-triazine-2,4,6-tricarbaldehyde
CID 174463279
2-amino-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862998
4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 105432959
1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 112711170
4-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine
CID 142555742
6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde
CID 174208643

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde?
The IUPAC name of 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde (CID 105437409) is 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde is Cc1nc(C=O)nc2c1CCOC2.
What is the InChIKey of 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde?
The InChIKey is MSJDFDFOKJGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-7-2-3-13-5-8(7)11-9(4-12)10-6/h4H,2-3,5H2,1H3.
What are the key properties of 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde?
4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 105437409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).