2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C15H18N4 — CID 114524429

IUPAC2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCc1cc(N2CCc3cccc(N)c3C2)ncn1
InChIInChI=1S/C15H18N4/c1-2-12-8-15(18-10-17-12)19-7-6-11-4-3-5-14(16)13(11)9-19/h3-5,8,10H,2,6-7,9,16H2,1H3
InChIKeyAFXNEPKNKITXHM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.18
Rot. Bonds2

About 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524429) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524429
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCc1cc(N2CCc3cccc(N)c3C2)ncn1
InChIInChI=1S/C15H18N4/c1-2-12-8-15(18-10-17-12)19-7-6-11-4-3-5-14(16)13(11)9-19/h3-5,8,10H,2,6-7,9,16H2,1H3
InChIKeyAFXNEPKNKITXHM-UHFFFAOYSA-N
XLogP2.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 167834816
2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524403
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524521
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524399
2-[(2-propyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524007
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzonitrile
CID 114524492

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524429) is 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine is CCc1cc(N2CCc3cccc(N)c3C2)ncn1.
What is the InChIKey of 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is AFXNEPKNKITXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-12-8-15(18-10-17-12)19-7-6-11-4-3-5-14(16)13(11)9-19/h3-5,8,10H,2,6-7,9,16H2,1H3.
What are the key properties of 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 254.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).