N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H21N5O — CID 112861123

IUPACN-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-15(26)24-17-7-9-18(10-8-17)25-20-13-19(22-14-23-20)21-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyDAXZDPRQGZNFGH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds7

About N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112861123) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112861123
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-15(26)24-17-7-9-18(10-8-17)25-20-13-19(22-14-23-20)21-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyDAXZDPRQGZNFGH-UHFFFAOYSA-N
XLogP3.83
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
N-[4-[[6-[2-(2-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861347
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861757
4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861116
N-[4-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860976
CID 67053281
CID 67053281
N-[4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860025
N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112859381
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112861123) is N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(NCCc3ccccc3)ncn2)cc1.
What is the InChIKey of N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is DAXZDPRQGZNFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15(26)24-17-7-9-18(10-8-17)25-20-13-19(22-14-23-20)21-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H2,21,22,23,25).
What are the key properties of N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112861123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).