2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde

C9H10N2O — CID 62742277

IUPAC2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2CC2)n1
InChIInChI=1S/C9H10N2O/c1-6-4-8(5-12)11-9(10-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyCSLVRDRMOPRVCX-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.47
Rot. Bonds2

About 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde

2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde (PubChem CID 62742277) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde
PubChem CID62742277
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2CC2)n1
InChIInChI=1S/C9H10N2O/c1-6-4-8(5-12)11-9(10-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyCSLVRDRMOPRVCX-UHFFFAOYSA-N
XLogP1.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde (CID 62742277) is 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is CSLVRDRMOPRVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-8(5-12)11-9(10-6)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde?
2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 62742277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).