4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide

C24H25N3O3 — CID 42821004

IUPAC4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCC2CCCO2)cc1C
InChIInChI=1S/C24H25N3O3/c1-16-10-11-19(13-17(16)2)30-24-21(23(28)26-14-20-9-6-12-29-20)15-25-22(27-24)18-7-4-3-5-8-18/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H,26,28)
InChIKeyILTXMBCWULDCMK-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.46
Rot. Bonds6

About 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide

4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 42821004) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID42821004
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCC2CCCO2)cc1C
InChIInChI=1S/C24H25N3O3/c1-16-10-11-19(13-17(16)2)30-24-21(23(28)26-14-20-9-6-12-29-20)15-25-22(27-24)18-7-4-3-5-8-18/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H,26,28)
InChIKeyILTXMBCWULDCMK-UHFFFAOYSA-N
XLogP4.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42670044
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40746933
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202307

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide (CID 42821004) is 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide is Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCC2CCCO2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is ILTXMBCWULDCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-10-11-19(13-17(16)2)30-24-21(23(28)26-14-20-9-6-12-29-20)15-25-22(27-24)18-7-4-3-5-8-18/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H,26,28).
What are the key properties of 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42821004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).