5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde

C19H16ClN3O2 — CID 146239647

IUPAC5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde
SMILESCc1nc(C=O)nc(OCc2cccnc2)c1Cc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O2/c1-13-16(9-15-6-2-3-7-17(15)20)19(23-18(11-24)22-13)25-12-14-5-4-8-21-10-14/h2-8,10-11H,9,12H2,1H3
InChIKeyLIEJNBVAYVHHCL-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.82
Rot. Bonds6

About 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde

5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde (PubChem CID 146239647) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde
PubChem CID146239647
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde
SMILESCc1nc(C=O)nc(OCc2cccnc2)c1Cc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O2/c1-13-16(9-15-6-2-3-7-17(15)20)19(23-18(11-24)22-13)25-12-14-5-4-8-21-10-14/h2-8,10-11H,9,12H2,1H3
InChIKeyLIEJNBVAYVHHCL-UHFFFAOYSA-N
XLogP3.82
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
5-[(2-chlorophenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,6-dimethylpyrimidine;formic acid
CID 142395284
2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 89247019
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
5-[(2-chlorophenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,6-dimethylpyrimidine
CID 142395285
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde (CID 146239647) is 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde is Cc1nc(C=O)nc(OCc2cccnc2)c1Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde?
The InChIKey is LIEJNBVAYVHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13-16(9-15-6-2-3-7-17(15)20)19(23-18(11-24)22-13)25-12-14-5-4-8-21-10-14/h2-8,10-11H,9,12H2,1H3.
What are the key properties of 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde?
5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde has a molecular weight of 353.81 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4-methyl-6-(pyridin-3-ylmethoxy)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 146239647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).