N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine

C24H25ClF3N7O — CID 11584424

IUPACN-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccnc1N1CCN(c2cc(N3CCOCC3)nc(Nc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C24H25ClF3N7O/c25-17-3-1-4-18(15-17)30-23-31-20(16-21(32-23)34-11-13-36-14-12-34)33-7-9-35(10-8-33)22-19(24(26,27)28)5-2-6-29-22/h1-6,15-16H,7-14H2,(H,30,31,32)
InChIKeyIREQDAQWCAXOSR-UHFFFAOYSA-N
MW519.96 g/mol
LogP4.45
Rot. Bonds5

About N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine

N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 11584424) has the molecular formula C24H25ClF3N7O and a molecular weight of 519.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID11584424
Molecular FormulaC24H25ClF3N7O
Molecular Weight519.96 g/mol
Exact Mass519.18
IUPAC NameN-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccnc1N1CCN(c2cc(N3CCOCC3)nc(Nc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C24H25ClF3N7O/c25-17-3-1-4-18(15-17)30-23-31-20(16-21(32-23)34-11-13-36-14-12-34)33-7-9-35(10-8-33)22-19(24(26,27)28)5-2-6-29-22/h1-6,15-16H,7-14H2,(H,30,31,32)
InChIKeyIREQDAQWCAXOSR-UHFFFAOYSA-N
XLogP4.45
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine (CID 11584424) is N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine is FC(F)(F)c1cccnc1N1CCN(c2cc(N3CCOCC3)nc(Nc3cccc(Cl)c3)n2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is IREQDAQWCAXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N7O/c25-17-3-1-4-18(15-17)30-23-31-20(16-21(32-23)34-11-13-36-14-12-34)33-7-9-35(10-8-33)22-19(24(26,27)28)5-2-6-29-22/h1-6,15-16H,7-14H2,(H,30,31,32).
What are the key properties of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 519.96 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 11584424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).