N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H21N5O — CID 112865208

IUPACN-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3cc(C)ccc3C)ncn2)c1
InChIInChI=1S/C20H21N5O/c1-13-7-8-14(2)18(9-13)25-20-11-19(21-12-22-20)24-17-6-4-5-16(10-17)23-15(3)26/h4-12H,1-3H3,(H,23,26)(H2,21,22,24,25)
InChIKeyCUQLDMBEMXFYHZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.54
Rot. Bonds5

About N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112865208) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112865208
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3cc(C)ccc3C)ncn2)c1
InChIInChI=1S/C20H21N5O/c1-13-7-8-14(2)18(9-13)25-20-11-19(21-12-22-20)24-17-6-4-5-16(10-17)23-15(3)26/h4-12H,1-3H3,(H,23,26)(H2,21,22,24,25)
InChIKeyCUQLDMBEMXFYHZ-UHFFFAOYSA-N
XLogP4.54
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865512
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
N-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
methyl 3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]benzoate
CID 112866713
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 141137793

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112865208) is N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(Nc3cc(C)ccc3C)ncn2)c1.
What is the InChIKey of N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is CUQLDMBEMXFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-7-8-14(2)18(9-13)25-20-11-19(21-12-22-20)24-17-6-4-5-16(10-17)23-15(3)26/h4-12H,1-3H3,(H,23,26)(H2,21,22,24,25).
What are the key properties of N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112865208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).