N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide

C28H29N5O3 — CID 22433684

IUPACN-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
SMILESCCOc1ccc(Nc2nc(C)c(NC(=O)c3ccccc3)c(Nc3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C28H29N5O3/c1-4-35-23-15-11-21(12-16-23)30-26-25(32-27(34)20-9-7-6-8-10-20)19(3)29-28(33-26)31-22-13-17-24(18-14-22)36-5-2/h6-18H,4-5H2,1-3H3,(H,32,34)(H2,29,30,31,33)
InChIKeyWCRMPTAFWOIACX-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.32
Rot. Bonds10

About N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide

N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide (PubChem CID 22433684) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
PubChem CID22433684
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
SMILESCCOc1ccc(Nc2nc(C)c(NC(=O)c3ccccc3)c(Nc3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C28H29N5O3/c1-4-35-23-15-11-21(12-16-23)30-26-25(32-27(34)20-9-7-6-8-10-20)19(3)29-28(33-26)31-22-13-17-24(18-14-22)36-5-2/h6-18H,4-5H2,1-3H3,(H,32,34)(H2,29,30,31,33)
InChIKeyWCRMPTAFWOIACX-UHFFFAOYSA-N
XLogP6.32
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]-3-methylbenzamide
CID 46324050
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181278
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
CID 46324048
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2226077
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzamide
CID 27621694
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide?
The IUPAC name of N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide (CID 22433684) is N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide?
The canonical SMILES for N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide is CCOc1ccc(Nc2nc(C)c(NC(=O)c3ccccc3)c(Nc3ccc(OCC)cc3)n2)cc1.
What is the InChIKey of N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide?
The InChIKey is WCRMPTAFWOIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-4-35-23-15-11-21(12-16-23)30-26-25(32-27(34)20-9-7-6-8-10-20)19(3)29-28(33-26)31-22-13-17-24(18-14-22)36-5-2/h6-18H,4-5H2,1-3H3,(H,32,34)(H2,29,30,31,33).
What are the key properties of N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide?
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 6.32, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 22433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).