5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine

C17H23N5O2 — CID 23323034

IUPAC5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCOCCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2
InChIInChI=1S/C17H23N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h7,9-10,20H,2-6,8H2,1H3,(H4,18,19,21,22)
InChIKeyAEQAPJCADMGBFW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.62
Rot. Bonds6

About 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine

5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 23323034) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine
PubChem CID23323034
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCOCCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2
InChIInChI=1S/C17H23N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h7,9-10,20H,2-6,8H2,1H3,(H4,18,19,21,22)
InChIKeyAEQAPJCADMGBFW-UHFFFAOYSA-N
XLogP1.62
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine (CID 23323034) is 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine is COCCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2.
What is the InChIKey of 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is AEQAPJCADMGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h7,9-10,20H,2-6,8H2,1H3,(H4,18,19,21,22).
What are the key properties of 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 329.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(2-methoxyethoxy)-1,2,3,4-tetrahydroquinolin-6-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).