4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine

C15H14N4 — CID 158107406

IUPAC4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
SMILESCCc1cc(-c2cncc3ccccc23)nc(N)n1
InChIInChI=1S/C15H14N4/c1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13/h3-9H,2H2,1H3,(H2,16,18,19)
InChIKeyRYAAYKZXOYFNNP-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.84
Rot. Bonds2

About 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine

4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine (PubChem CID 158107406) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
PubChem CID158107406
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
SMILESCCc1cc(-c2cncc3ccccc23)nc(N)n1
InChIInChI=1S/C15H14N4/c1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13/h3-9H,2H2,1H3,(H2,16,18,19)
InChIKeyRYAAYKZXOYFNNP-UHFFFAOYSA-N
XLogP2.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
CID 15435579
4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331637
6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102716704
2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
CID 159434741
(3-isoquinolin-4-yl-4-methylphenyl)methanamine
CID 105408814
3-isoquinolin-4-ylaniline
CID 22724137
3-ethyl-1-naphthalen-1-ylisoquinoline
CID 140508160
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
4-isoquinolin-4-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136692880
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine (CID 158107406) is 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine is CCc1cc(-c2cncc3ccccc23)nc(N)n1.
What is the InChIKey of 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine?
The InChIKey is RYAAYKZXOYFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13/h3-9H,2H2,1H3,(H2,16,18,19).
What are the key properties of 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine?
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine has a molecular weight of 250.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 158107406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).