N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine

C15H14N4 — CID 103144236

IUPACN-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
SMILESCCNc1nccc(-c2cccc3ccncc23)n1
InChIInChI=1S/C15H14N4/c1-2-17-15-18-9-7-14(19-15)12-5-3-4-11-6-8-16-10-13(11)12/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyHGJBXPYUDBUGNA-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.12
Rot. Bonds3

About N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine

N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine (PubChem CID 103144236) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
PubChem CID103144236
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
SMILESCCNc1nccc(-c2cccc3ccncc23)n1
InChIInChI=1S/C15H14N4/c1-2-17-15-18-9-7-14(19-15)12-5-3-4-11-6-8-16-10-13(11)12/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyHGJBXPYUDBUGNA-UHFFFAOYSA-N
XLogP3.12
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine (CID 103144236) is N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine is CCNc1nccc(-c2cccc3ccncc23)n1.
What is the InChIKey of N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine?
The InChIKey is HGJBXPYUDBUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-17-15-18-9-7-14(19-15)12-5-3-4-11-6-8-16-10-13(11)12/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine?
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine has a molecular weight of 250.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine is sourced from PubChem (CID 103144236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).