1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine

C12H13BrN4 — CID 113398731

IUPAC1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ccc(Br)cn2)ncc1C(C)N
InChIInChI=1S/C12H13BrN4/c1-7(14)10-6-16-12(17-8(10)2)11-4-3-9(13)5-15-11/h3-7H,14H2,1-2H3
InChIKeySSHLSFQCCKECPE-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.63
Rot. Bonds2

About 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine

1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 113398731) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID113398731
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ccc(Br)cn2)ncc1C(C)N
InChIInChI=1S/C12H13BrN4/c1-7(14)10-6-16-12(17-8(10)2)11-4-3-9(13)5-15-11/h3-7H,14H2,1-2H3
InChIKeySSHLSFQCCKECPE-UHFFFAOYSA-N
XLogP2.63
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine (CID 113398731) is 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine is Cc1nc(-c2ccc(Br)cn2)ncc1C(C)N.
What is the InChIKey of 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is SSHLSFQCCKECPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7(14)10-6-16-12(17-8(10)2)11-4-3-9(13)5-15-11/h3-7H,14H2,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 293.17 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 113398731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).