2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

C18H16BrFN4 — CID 90996003

IUPAC2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C18H16BrFN4/c1-12-9-17(22-8-6-13-3-2-7-21-11-13)24-18(23-12)15-10-14(19)4-5-16(15)20/h2-5,7,9-11H,6,8H2,1H3,(H,22,23,24)
InChIKeyYTXQRFZEXVNTTC-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.40
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 90996003) has the molecular formula C18H16BrFN4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID90996003
Molecular FormulaC18H16BrFN4
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C18H16BrFN4/c1-12-9-17(22-8-6-13-3-2-7-21-11-13)24-18(23-12)15-10-14(19)4-5-16(15)20/h2-5,7,9-11H,6,8H2,1H3,(H,22,23,24)
InChIKeyYTXQRFZEXVNTTC-UHFFFAOYSA-N
XLogP4.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (CID 90996003) is 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is Cc1cc(NCCc2cccnc2)nc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is YTXQRFZEXVNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4/c1-12-9-17(22-8-6-13-3-2-7-21-11-13)24-18(23-12)15-10-14(19)4-5-16(15)20/h2-5,7,9-11H,6,8H2,1H3,(H,22,23,24).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 387.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 90996003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).