N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C22H23F2N5 — CID 112936484

IUPACN-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc(Nc3c(F)cccc3F)n2)CC1
InChIInChI=1S/C22H23F2N5/c1-2-28-11-13-29(14-12-28)20-15-19(16-7-4-3-5-8-16)25-22(26-20)27-21-17(23)9-6-10-18(21)24/h3-10,15H,2,11-14H2,1H3,(H,25,26,27)
InChIKeyCUTJAPOMXAFMIA-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.31
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936484) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936484
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc(Nc3c(F)cccc3F)n2)CC1
InChIInChI=1S/C22H23F2N5/c1-2-28-11-13-29(14-12-28)20-15-19(16-7-4-3-5-8-16)25-22(26-20)27-21-17(23)9-6-10-18(21)24/h3-10,15H,2,11-14H2,1H3,(H,25,26,27)
InChIKeyCUTJAPOMXAFMIA-UHFFFAOYSA-N
XLogP4.31
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
CID 112936430
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
CID 112896317
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914275
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 112936484) is N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is CCN1CCN(c2cc(-c3ccccc3)nc(Nc3c(F)cccc3F)n2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is CUTJAPOMXAFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c1-2-28-11-13-29(14-12-28)20-15-19(16-7-4-3-5-8-16)25-22(26-20)27-21-17(23)9-6-10-18(21)24/h3-10,15H,2,11-14H2,1H3,(H,25,26,27).
What are the key properties of N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).