5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine

C15H16N4 — CID 104504799

IUPAC5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2cncc3ccccc23)c1N
InChIInChI=1S/C15H16N4/c1-10(2)19-9-18-14(15(19)16)13-8-17-7-11-5-3-4-6-12(11)13/h3-10H,16H2,1-2H3
InChIKeyCBWTUUSYUJBCMT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.26
Rot. Bonds2

About 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine

5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine (PubChem CID 104504799) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
PubChem CID104504799
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2cncc3ccccc23)c1N
InChIInChI=1S/C15H16N4/c1-10(2)19-9-18-14(15(19)16)13-8-17-7-11-5-3-4-6-12(11)13/h3-10H,16H2,1-2H3
InChIKeyCBWTUUSYUJBCMT-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine
CID 104504813
5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62019586
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine
CID 62390199
2-isoquinolin-4-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104505099
2-cyclopropyl-4-isoquinolin-4-ylimidazole-1,5-diamine
CID 104504833
5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
CID 166661287
3-methyl-5-naphthalen-1-ylimidazol-4-amine
CID 62017336
3-isoquinolin-4-ylaniline
CID 22724137
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 104504761
5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
CID 115528257

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine (CID 104504799) is 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine is CC(C)n1cnc(-c2cncc3ccccc23)c1N.
What is the InChIKey of 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine?
The InChIKey is CBWTUUSYUJBCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(2)19-9-18-14(15(19)16)13-8-17-7-11-5-3-4-6-12(11)13/h3-10H,16H2,1-2H3.
What are the key properties of 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine?
5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine has a molecular weight of 252.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 104504799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).