10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol

C16H22N2O2 — CID 14181398

IUPAC10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
SMILESCOC(C)CCC1(O)C2=NCCCN2c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-12(20-2)8-9-16(19)13-6-3-4-7-14(13)18-11-5-10-17-15(16)18/h3-4,6-7,12,19H,5,8-11H2,1-2H3
InChIKeySCEHWPMLDBOIGZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.31
Rot. Bonds4

About 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol

10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol (PubChem CID 14181398) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol.

Molecular Properties

Compound Name10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
PubChem CID14181398
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol
SMILESCOC(C)CCC1(O)C2=NCCCN2c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-12(20-2)8-9-16(19)13-6-3-4-7-14(13)18-11-5-10-17-15(16)18/h3-4,6-7,12,19H,5,8-11H2,1-2H3
InChIKeySCEHWPMLDBOIGZ-UHFFFAOYSA-N
XLogP2.31
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
The IUPAC name of 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol (CID 14181398) is 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol.
What is the SMILES notation for 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
The canonical SMILES for 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol is COC(C)CCC1(O)C2=NCCCN2c2ccccc21.
What is the InChIKey of 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
The InChIKey is SCEHWPMLDBOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(20-2)8-9-16(19)13-6-3-4-7-14(13)18-11-5-10-17-15(16)18/h3-4,6-7,12,19H,5,8-11H2,1-2H3.
What are the key properties of 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol?
10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol has a molecular weight of 274.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol is sourced from PubChem (CID 14181398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).