N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine

C19H25N3 — CID 12786430

IUPACN-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine
SMILESCc1cnc(C)n2c1c(CCN(C)C(C)C)c1ccccc12
InChIInChI=1S/C19H25N3/c1-13(2)21(5)11-10-17-16-8-6-7-9-18(16)22-15(4)20-12-14(3)19(17)22/h6-9,12-13H,10-11H2,1-5H3
InChIKeyXDKJKAUAQZJONC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.99
Rot. Bonds4

About N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine

N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine (PubChem CID 12786430) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine
PubChem CID12786430
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine
SMILESCc1cnc(C)n2c1c(CCN(C)C(C)C)c1ccccc12
InChIInChI=1S/C19H25N3/c1-13(2)21(5)11-10-17-16-8-6-7-9-18(16)22-15(4)20-12-14(3)19(17)22/h6-9,12-13H,10-11H2,1-5H3
InChIKeyXDKJKAUAQZJONC-UHFFFAOYSA-N
XLogP3.99
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine (CID 12786430) is N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine is Cc1cnc(C)n2c1c(CCN(C)C(C)C)c1ccccc12.
What is the InChIKey of N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine?
The InChIKey is XDKJKAUAQZJONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-13(2)21(5)11-10-17-16-8-6-7-9-18(16)22-15(4)20-12-14(3)19(17)22/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine?
N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 12786430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).