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

C12H13BrN4 — CID 63874581

IUPAC5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccncc1)c1ncc(Br)cn1
InChIInChI=1S/C12H13BrN4/c1-17(12-15-8-11(13)9-16-12)7-4-10-2-5-14-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyTVCBTLKPYRHBNK-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.31
Rot. Bonds4

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

5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 63874581) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID63874581
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccncc1)c1ncc(Br)cn1
InChIInChI=1S/C12H13BrN4/c1-17(12-15-8-11(13)9-16-12)7-4-10-2-5-14-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyTVCBTLKPYRHBNK-UHFFFAOYSA-N
XLogP2.31
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 63874581) is 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is CN(CCc1ccncc1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is TVCBTLKPYRHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(12-15-8-11(13)9-16-12)7-4-10-2-5-14-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 293.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 63874581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).