4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine

C16H20N4O — CID 112885872

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C16H20N4O/c1-21-11-9-18-16-17-8-6-15(19-16)20-10-7-13-4-2-3-5-14(13)12-20/h2-6,8H,7,9-12H2,1H3,(H,17,18,19)
InChIKeyGKOKWBKGVXKGHV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.10
Rot. Bonds5

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 112885872) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID112885872
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C16H20N4O/c1-21-11-9-18-16-17-8-6-15(19-16)20-10-7-13-4-2-3-5-14(13)12-20/h2-6,8H,7,9-12H2,1H3,(H,17,18,19)
InChIKeyGKOKWBKGVXKGHV-UHFFFAOYSA-N
XLogP2.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 112894274
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)pyrimidin-2-amine
CID 112899597
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]-3-(2-methoxyethyl)thiourea
CID 100776767
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112894308
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-propylpyrimidin-2-amine
CID 80812071
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112894284

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine (CID 112885872) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nccc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is GKOKWBKGVXKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-11-9-18-16-17-8-6-15(19-16)20-10-7-13-4-2-3-5-14(13)12-20/h2-6,8H,7,9-12H2,1H3,(H,17,18,19).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 112885872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).