2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde

C12H14N2O — CID 174525404

IUPAC2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde
SMILESCC1(C=O)NCC=CN1c1ccccc1
InChIInChI=1S/C12H14N2O/c1-12(10-15)13-8-5-9-14(12)11-6-3-2-4-7-11/h2-7,9-10,13H,8H2,1H3
InChIKeyMWIPRUFTOKHMTG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.52
Rot. Bonds2

About 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde

2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde (PubChem CID 174525404) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde
PubChem CID174525404
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde
SMILESCC1(C=O)NCC=CN1c1ccccc1
InChIInChI=1S/C12H14N2O/c1-12(10-15)13-8-5-9-14(12)11-6-3-2-4-7-11/h2-7,9-10,13H,8H2,1H3
InChIKeyMWIPRUFTOKHMTG-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide
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3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile
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4-methyl-5-oxo-1-phenylpyrazole-4-carbaldehyde
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N-(4-methyl-1-phenylpiperidin-4-yl)formamide
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6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one
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3-methyl-3-phenyl-1,4-dihydroisoquinoline-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde?
The IUPAC name of 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde (CID 174525404) is 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde.
What is the SMILES notation for 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde?
The canonical SMILES for 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde is CC1(C=O)NCC=CN1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde?
The InChIKey is MWIPRUFTOKHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(10-15)13-8-5-9-14(12)11-6-3-2-4-7-11/h2-7,9-10,13H,8H2,1H3.
What are the key properties of 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde?
2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-1,6-dihydropyrimidine-2-carbaldehyde is sourced from PubChem (CID 174525404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).