N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine

C15H14N4 — CID 103144332

IUPACN-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc3ccncc23)ncn1
InChIInChI=1S/C15H14N4/c1-2-17-15-8-14(18-10-19-15)12-5-3-4-11-6-7-16-9-13(11)12/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyHYMFNXRWAKHYIE-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.12
Rot. Bonds3

About N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine

N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine (PubChem CID 103144332) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
PubChem CID103144332
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc3ccncc23)ncn1
InChIInChI=1S/C15H14N4/c1-2-17-15-8-14(18-10-19-15)12-5-3-4-11-6-7-16-9-13(11)12/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyHYMFNXRWAKHYIE-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

Analyze N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-quinolin-5-ylpyrimidin-4-amine
CID 81221755
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
N-ethyl-3-isoquinolin-8-ylpyrazin-2-amine
CID 103144319
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144239
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine
CID 103144004
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine
CID 114270502
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
N-propylisoquinolin-8-amine
CID 54033424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine (CID 103144332) is N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine is CCNc1cc(-c2cccc3ccncc23)ncn1.
What is the InChIKey of N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine?
The InChIKey is HYMFNXRWAKHYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-17-15-8-14(18-10-19-15)12-5-3-4-11-6-7-16-9-13(11)12/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine?
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-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-6-isoquinolin-8-ylpyrimidin-4-amine is sourced from PubChem (CID 103144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).