N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine

C12H13BrN4 — CID 139594069

IUPACN-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(Nc2ccc(Br)cn2)n1
InChIInChI=1S/C12H13BrN4/c1-8(2)12-14-6-5-11(17-12)16-10-4-3-9(13)7-15-10/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyIEAGVEIAYXFJLX-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.50
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine

N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 139594069) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID139594069
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC NameN-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(Nc2ccc(Br)cn2)n1
InChIInChI=1S/C12H13BrN4/c1-8(2)12-14-6-5-11(17-12)16-10-4-3-9(13)7-15-10/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyIEAGVEIAYXFJLX-UHFFFAOYSA-N
XLogP3.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 139019891
5-bromo-N-pyridin-2-ylpyridin-2-amine;2,5-dibromopyridine
CID 161070357
5-bromo-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 63463659
N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 130621650
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266
5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 133346198
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine (CID 139594069) is N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nccc(Nc2ccc(Br)cn2)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is IEAGVEIAYXFJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8(2)12-14-6-5-11(17-12)16-10-4-3-9(13)7-15-10/h3-8H,1-2H3,(H,14,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.17 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 139594069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).