N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide

C21H23N5O2 — CID 112861757

IUPACN-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(CCNc2cc(Nc3cccc(NC(C)=O)c3)ncn2)cc1
InChIInChI=1S/C21H23N5O2/c1-15(27)25-17-4-3-5-18(12-17)26-21-13-20(23-14-24-21)22-11-10-16-6-8-19(28-2)9-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)(H2,22,23,24,26)
InChIKeyGDKYDNFYXFVLFN-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.84
Rot. Bonds8

About N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112861757) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112861757
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(CCNc2cc(Nc3cccc(NC(C)=O)c3)ncn2)cc1
InChIInChI=1S/C21H23N5O2/c1-15(27)25-17-4-3-5-18(12-17)26-21-13-20(23-14-24-21)22-11-10-16-6-8-19(28-2)9-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)(H2,22,23,24,26)
InChIKeyGDKYDNFYXFVLFN-UHFFFAOYSA-N
XLogP3.84
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
methyl 3-[[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112861659
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
CID 117084589
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
methyl 3-[[6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112874335
3-[[6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193404

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 112861757) is N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide is COc1ccc(CCNc2cc(Nc3cccc(NC(C)=O)c3)ncn2)cc1.
What is the InChIKey of N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is GDKYDNFYXFVLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(27)25-17-4-3-5-18(12-17)26-21-13-20(23-14-24-21)22-11-10-16-6-8-19(28-2)9-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112861757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).