5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C22H15ClF3N5 — CID 156768874

IUPAC5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccccc4)cn3)ncc2Cl)c1
InChIInChI=1S/C22H15ClF3N5/c23-18-13-28-21(30-19-10-9-15(12-27-19)14-5-2-1-3-6-14)31-20(18)29-17-8-4-7-16(11-17)22(24,25)26/h1-13H,(H2,27,28,29,30,31)
InChIKeyICOKEPHBAONPHG-UHFFFAOYSA-N
MW441.84 g/mol
LogP6.70
Rot. Bonds5

About 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 156768874) has the molecular formula C22H15ClF3N5 and a molecular weight of 441.84 g/mol. Its IUPAC name is 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID156768874
Molecular FormulaC22H15ClF3N5
Molecular Weight441.84 g/mol
Exact Mass441.10
IUPAC Name5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccccc4)cn3)ncc2Cl)c1
InChIInChI=1S/C22H15ClF3N5/c23-18-13-28-21(30-19-10-9-15(12-27-19)14-5-2-1-3-6-14)31-20(18)29-17-8-4-7-16(11-17)22(24,25)26/h1-13H,(H2,27,28,29,30,31)
InChIKeyICOKEPHBAONPHG-UHFFFAOYSA-N
XLogP6.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.84
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

Azd-3839
CID 46202416
Ngd-8243
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Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N-(4-tert-butylphenyl)-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24783142
N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 921541
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 156768874) is 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccccc4)cn3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is ICOKEPHBAONPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5/c23-18-13-28-21(30-19-10-9-15(12-27-19)14-5-2-1-3-6-14)31-20(18)29-17-8-4-7-16(11-17)22(24,25)26/h1-13H,(H2,27,28,29,30,31).
What are the key properties of 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 441.84 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(5-phenyl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 156768874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).