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

C16H11ClF3N5 — CID 156768867

IUPAC5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccncc3)ncc2Cl)c1
InChIInChI=1S/C16H11ClF3N5/c17-13-9-22-15(24-11-4-6-21-7-5-11)25-14(13)23-12-3-1-2-10(8-12)16(18,19)20/h1-9H,(H2,21,22,23,24,25)
InChIKeyBSNSWGWISOBVIP-UHFFFAOYSA-N
MW365.75 g/mol
LogP5.03
Rot. Bonds4

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

5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 156768867) has the molecular formula C16H11ClF3N5 and a molecular weight of 365.75 g/mol. Its IUPAC name is 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID156768867
Molecular FormulaC16H11ClF3N5
Molecular Weight365.75 g/mol
Exact Mass365.07
IUPAC Name5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccncc3)ncc2Cl)c1
InChIInChI=1S/C16H11ClF3N5/c17-13-9-22-15(24-11-4-6-21-7-5-11)25-14(13)23-12-3-1-2-10(8-12)16(18,19)20/h1-9H,(H2,21,22,23,24,25)
InChIKeyBSNSWGWISOBVIP-UHFFFAOYSA-N
XLogP5.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.75
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
US10450297, Example 50
CID 57584772
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 921541
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
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-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 156768867) is 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3ccncc3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is BSNSWGWISOBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5/c17-13-9-22-15(24-11-4-6-21-7-5-11)25-14(13)23-12-3-1-2-10(8-12)16(18,19)20/h1-9H,(H2,21,22,23,24,25).
What are the key properties of 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 365.75 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 156768867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).