6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C21H16BrN5 — CID 4523116

IUPAC6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncc(-c2cc(NCc3cccnc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H16BrN5/c22-18-9-17(13-24-14-18)19-10-20(25-12-15-5-4-8-23-11-15)27-21(26-19)16-6-2-1-3-7-16/h1-11,13-14H,12H2,(H,25,26,27)
InChIKeyJGNRFDRLVVPNNZ-UHFFFAOYSA-N
MW418.30 g/mol
LogP4.98
Rot. Bonds5

About 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 4523116) has the molecular formula C21H16BrN5 and a molecular weight of 418.30 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID4523116
Molecular FormulaC21H16BrN5
Molecular Weight418.30 g/mol
Exact Mass417.06
IUPAC Name6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncc(-c2cc(NCc3cccnc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H16BrN5/c22-18-9-17(13-24-14-18)19-10-20(25-12-15-5-4-8-23-11-15)27-21(26-19)16-6-2-1-3-7-16/h1-11,13-14H,12H2,(H,25,26,27)
InChIKeyJGNRFDRLVVPNNZ-UHFFFAOYSA-N
XLogP4.98
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pd 158780
CID 4707
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Jnj-38893777
CID 16742146
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
Sri-9439
CID 446752
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
Pik-iii
CID 67983123
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 4523116) is 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Brc1cncc(-c2cc(NCc3cccnc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is JGNRFDRLVVPNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5/c22-18-9-17(13-24-14-18)19-10-20(25-12-15-5-4-8-23-11-15)27-21(26-19)16-6-2-1-3-7-16/h1-11,13-14H,12H2,(H,25,26,27).
What are the key properties of 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 418.30 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 4523116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).