7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole

C14H18N2O — CID 604586

IUPAC7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
SMILESCOc1ccc2c(c1)c(C)c1n2CN(C)CC1
InChIInChI=1S/C14H18N2O/c1-10-12-8-11(17-3)4-5-14(12)16-9-15(2)7-6-13(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyIYRHEXXMQLCBLI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.40
Rot. Bonds1

About 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole

7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole (PubChem CID 604586) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole.

Molecular Properties

Compound Name7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
PubChem CID604586
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
SMILESCOc1ccc2c(c1)c(C)c1n2CN(C)CC1
InChIInChI=1S/C14H18N2O/c1-10-12-8-11(17-3)4-5-14(12)16-9-15(2)7-6-13(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyIYRHEXXMQLCBLI-UHFFFAOYSA-N
XLogP2.40
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 143529502
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CID 12629907
7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one
CID 15112644
8-methoxy-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 154694313
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CID 69419460
7,12-dimethoxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-4-one
CID 21252815
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 15925637
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
9-methoxy-3-methyl-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine
CID 164872453
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
CID 54515191
tert-butyl 8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 139316741
6-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 68561415

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole?
The IUPAC name of 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole (CID 604586) is 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole.
What is the SMILES notation for 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole?
The canonical SMILES for 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole is COc1ccc2c(c1)c(C)c1n2CN(C)CC1.
What is the InChIKey of 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole?
The InChIKey is IYRHEXXMQLCBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-12-8-11(17-3)4-5-14(12)16-9-15(2)7-6-13(10)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole?
7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole has a molecular weight of 230.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole is sourced from PubChem (CID 604586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).