5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine

C26H19FN6 — CID 150136429

IUPAC5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2-c2cc(F)c(-c3cnc(N)nc3)c(-c3ccccc3)c2)cn1
InChIInChI=1S/C26H19FN6/c27-23-11-17(20-8-4-5-9-21(20)18-12-30-25(28)31-13-18)10-22(16-6-2-1-3-7-16)24(23)19-14-32-26(29)33-15-19/h1-15H,(H2,28,30,31)(H2,29,32,33)
InChIKeyFCILMPJUUWCHHA-UHFFFAOYSA-N
MW434.48 g/mol
LogP5.24
Rot. Bonds4

About 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine

5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine (PubChem CID 150136429) has the molecular formula C26H19FN6 and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine
PubChem CID150136429
Molecular FormulaC26H19FN6
Molecular Weight434.48 g/mol
Exact Mass434.17
IUPAC Name5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2-c2cc(F)c(-c3cnc(N)nc3)c(-c3ccccc3)c2)cn1
InChIInChI=1S/C26H19FN6/c27-23-11-17(20-8-4-5-9-21(20)18-12-30-25(28)31-13-18)10-22(16-6-2-1-3-7-16)24(23)19-14-32-26(29)33-15-19/h1-15H,(H2,28,30,31)(H2,29,32,33)
InChIKeyFCILMPJUUWCHHA-UHFFFAOYSA-N
XLogP5.24
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-3839
CID 46202416
Msx-122
CID 11687907
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096
5-(Naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
CID 463732
5-(Naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
CID 516669
5-Methyl-6-[2-(1-naphthyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462113

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine (CID 150136429) is 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccccc2-c2cc(F)c(-c3cnc(N)nc3)c(-c3ccccc3)c2)cn1.
What is the InChIKey of 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine?
The InChIKey is FCILMPJUUWCHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6/c27-23-11-17(20-8-4-5-9-21(20)18-12-30-25(28)31-13-18)10-22(16-6-2-1-3-7-16)24(23)19-14-32-26(29)33-15-19/h1-15H,(H2,28,30,31)(H2,29,32,33).
What are the key properties of 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine?
5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine has a molecular weight of 434.48 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-aminopyrimidin-5-yl)-3-fluoro-5-phenylphenyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 150136429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).