4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one

C17H18N6O — CID 123511220

IUPAC4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one
SMILESNc1ccc2c(c1)CN(c1nccc(Cc3c[nH]c(=O)[nH]3)n1)CC2
InChIInChI=1S/C17H18N6O/c18-13-2-1-11-4-6-23(10-12(11)7-13)16-19-5-3-14(21-16)8-15-9-20-17(24)22-15/h1-3,5,7,9H,4,6,8,10,18H2,(H2,20,22,24)
InChIKeyNOLLTLDNYUNOQX-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.23
Rot. Bonds3

About 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one

4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one (PubChem CID 123511220) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one
PubChem CID123511220
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one
SMILESNc1ccc2c(c1)CN(c1nccc(Cc3c[nH]c(=O)[nH]3)n1)CC2
InChIInChI=1S/C17H18N6O/c18-13-2-1-11-4-6-23(10-12(11)7-13)16-19-5-3-14(21-16)8-15-9-20-17(24)22-15/h1-3,5,7,9H,4,6,8,10,18H2,(H2,20,22,24)
InChIKeyNOLLTLDNYUNOQX-UHFFFAOYSA-N
XLogP1.23
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

(5E)-5-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310749
2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 114787324
7-nitro-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 75378873
2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 118447852
methyl 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]acetate
CID 167882627
4-[4-(aminomethyl)pyrimidin-2-yl]-1-methylpiperazin-2-one
CID 107542075
N-[3-[[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562690
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308078
4-(5-amino-1,3-dihydroisoindol-2-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136979446
N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308085
6-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-8-amine
CID 171816523
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 116796836

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one (CID 123511220) is 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one is Nc1ccc2c(c1)CN(c1nccc(Cc3c[nH]c(=O)[nH]3)n1)CC2.
What is the InChIKey of 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
The InChIKey is NOLLTLDNYUNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-13-2-1-11-4-6-23(10-12(11)7-13)16-19-5-3-14(21-16)8-15-9-20-17(24)22-15/h1-3,5,7,9H,4,6,8,10,18H2,(H2,20,22,24).
What are the key properties of 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one?
4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one has a molecular weight of 322.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 123511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).