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

C19H19N5O2 — CID 112866239

IUPACN-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)ncn2)cc1
InChIInChI=1S/C19H19N5O2/c1-13(25)22-14-3-5-15(6-4-14)23-18-11-19(21-12-20-18)24-16-7-9-17(26-2)10-8-16/h3-12H,1-2H3,(H,22,25)(H2,20,21,23,24)
InChIKeyDXSWEPGZJJNUQB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.93
Rot. Bonds6

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

N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112866239) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112866239
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)ncn2)cc1
InChIInChI=1S/C19H19N5O2/c1-13(25)22-14-3-5-15(6-4-14)23-18-11-19(21-12-20-18)24-16-7-9-17(26-2)10-8-16/h3-12H,1-2H3,(H,22,25)(H2,20,21,23,24)
InChIKeyDXSWEPGZJJNUQB-UHFFFAOYSA-N
XLogP3.93
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861757
N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878632
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
methyl 4-[[6-(4-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866836
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112866239) is N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide is COc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)ncn2)cc1.
What is the InChIKey of N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is DXSWEPGZJJNUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13(25)22-14-3-5-15(6-4-14)23-18-11-19(21-12-20-18)24-16-7-9-17(26-2)10-8-16/h3-12H,1-2H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112866239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).