N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H21N5O — CID 112865411

IUPACN-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCc1ccc(Nc2cc(Nc3cccc(NC(C)=O)c3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-3-15-7-9-16(10-8-15)24-19-12-20(22-13-21-19)25-18-6-4-5-17(11-18)23-14(2)26/h4-13H,3H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyFDNHZAZMSVHJMY-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.48
Rot. Bonds6

About N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112865411) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112865411
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCc1ccc(Nc2cc(Nc3cccc(NC(C)=O)c3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-3-15-7-9-16(10-8-15)24-19-12-20(22-13-21-19)25-18-6-4-5-17(11-18)23-14(2)26/h4-13H,3H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyFDNHZAZMSVHJMY-UHFFFAOYSA-N
XLogP4.48
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
methyl 3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]benzoate
CID 112866713
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861757
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865208
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112865411) is N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CCc1ccc(Nc2cc(Nc3cccc(NC(C)=O)c3)ncn2)cc1.
What is the InChIKey of N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is FDNHZAZMSVHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-15-7-9-16(10-8-15)24-19-12-20(22-13-21-19)25-18-6-4-5-17(11-18)23-14(2)26/h4-13H,3H2,1-2H3,(H,23,26)(H2,21,22,24,25).
What are the key properties of N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112865411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).