6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde

C15H16N2O2 — CID 116857718

IUPAC6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
SMILESCOc1ccc(-c2cc(C=O)ncn2)cc1C(C)C
InChIInChI=1S/C15H16N2O2/c1-10(2)13-6-11(4-5-15(13)19-3)14-7-12(8-18)16-9-17-14/h4-10H,1-3H3
InChIKeyHMPJZIZBNJFMIO-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.09
Rot. Bonds4

About 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde

6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde (PubChem CID 116857718) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
PubChem CID116857718
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
SMILESCOc1ccc(-c2cc(C=O)ncn2)cc1C(C)C
InChIInChI=1S/C15H16N2O2/c1-10(2)13-6-11(4-5-15(13)19-3)14-7-12(8-18)16-9-17-14/h4-10H,1-3H3
InChIKeyHMPJZIZBNJFMIO-UHFFFAOYSA-N
XLogP3.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.09
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

6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857701
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
6-(4-fluoro-3-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857699
3-(4-methoxy-3-propan-2-ylphenyl)-1-prop-2-enylpyrazole-5-carbaldehyde
CID 84761276
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
CID 82294072
4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 94699090
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrimidine-4-carbaldehyde
CID 116857786
6-(1H-pyrrol-3-yl)pyrimidine-4-carbaldehyde
CID 116857750

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde (CID 116857718) is 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde is COc1ccc(-c2cc(C=O)ncn2)cc1C(C)C.
What is the InChIKey of 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde?
The InChIKey is HMPJZIZBNJFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)13-6-11(4-5-15(13)19-3)14-7-12(8-18)16-9-17-14/h4-10H,1-3H3.
What are the key properties of 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde?
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 116857718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).