2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C13H11BrN6 — CID 106715549

IUPAC2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3ccc(Br)cn3)n2)cn1
InChIInChI=1S/C13H11BrN6/c1-20-7-8(5-17-20)11-4-12(15)19-13(18-11)10-3-2-9(14)6-16-10/h2-7H,1H3,(H2,15,18,19)
InChIKeyITURFXLLRYRCRE-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715549) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715549
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC Name2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3ccc(Br)cn3)n2)cn1
InChIInChI=1S/C13H11BrN6/c1-20-7-8(5-17-20)11-4-12(15)19-13(18-11)10-3-2-9(14)6-16-10/h2-7H,1H3,(H2,15,18,19)
InChIKeyITURFXLLRYRCRE-UHFFFAOYSA-N
XLogP2.28
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
[6-(1-methylpyrazol-4-yl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 106716230
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
2-(3-methylcyclopentyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715595
2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
CID 58042031

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715549) is 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2cc(N)nc(-c3ccc(Br)cn3)n2)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is ITURFXLLRYRCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c1-20-7-8(5-17-20)11-4-12(15)19-13(18-11)10-3-2-9(14)6-16-10/h2-7H,1H3,(H2,15,18,19).
What are the key properties of 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 331.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).