5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine

C14H11BrN4 — CID 104504891

IUPAC5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cncc3ccccc23)nc(N)c1Br
InChIInChI=1S/C14H11BrN4/c1-8-12(15)13(16)19-14(18-8)11-7-17-6-9-4-2-3-5-10(9)11/h2-7H,1H3,(H2,16,18,19)
InChIKeyZSGIUHUFGIDPCO-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.34
Rot. Bonds1

About 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine

5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine (PubChem CID 104504891) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine
PubChem CID104504891
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cncc3ccccc23)nc(N)c1Br
InChIInChI=1S/C14H11BrN4/c1-8-12(15)13(16)19-14(18-8)11-7-17-6-9-4-2-3-5-10(9)11/h2-7H,1H3,(H2,16,18,19)
InChIKeyZSGIUHUFGIDPCO-UHFFFAOYSA-N
XLogP3.34
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306257
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
4-[5-bromo-4-chloro-6-(methoxymethyl)pyrimidin-2-yl]isoquinoline
CID 104504524
5-bromo-6-methyl-2-quinolin-8-ylpyrimidin-4-amine
CID 66303614
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
4-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)isoquinoline
CID 104504513
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
6-methyl-2-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 62916015
3-isoquinolin-4-ylaniline
CID 22724137
5-bromo-2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66303833
5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305058

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine (CID 104504891) is 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine is Cc1nc(-c2cncc3ccccc23)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine?
The InChIKey is ZSGIUHUFGIDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-8-12(15)13(16)19-14(18-8)11-7-17-6-9-4-2-3-5-10(9)11/h2-7H,1H3,(H2,16,18,19).
What are the key properties of 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine?
5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 104504891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).