5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine

C14H11BrN4 — CID 66304285

IUPAC5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc3ncccc3c2)ncc1Br
InChIInChI=1S/C14H11BrN4/c1-16-14-11(15)8-18-13(19-14)10-4-5-12-9(7-10)3-2-6-17-12/h2-8H,1H3,(H,16,18,19)
InChIKeyVVUHZYGWASESAY-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.50
Rot. Bonds2

About 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine

5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine (PubChem CID 66304285) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
PubChem CID66304285
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc3ncccc3c2)ncc1Br
InChIInChI=1S/C14H11BrN4/c1-16-14-11(15)8-18-13(19-14)10-4-5-12-9(7-10)3-2-6-17-12/h2-8H,1H3,(H,16,18,19)
InChIKeyVVUHZYGWASESAY-UHFFFAOYSA-N
XLogP3.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
5-bromo-2-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-4-amine
CID 66295670
5-bromo-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 66296832
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
N,4,5-trimethyl-6-quinolin-6-ylpyridazin-3-amine
CID 81221120
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 114205846
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
6-(1H-azirin-2-yl)quinoline
CID 146540612
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine (CID 66304285) is 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine is CNc1nc(-c2ccc3ncccc3c2)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine?
The InChIKey is VVUHZYGWASESAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-16-14-11(15)8-18-13(19-14)10-4-5-12-9(7-10)3-2-6-17-12/h2-8H,1H3,(H,16,18,19).
What are the key properties of 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine?
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 66304285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).