1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine

C17H20N4 — CID 102918008

IUPAC1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(Cc3ncccn3)c2c1
InChIInChI=1S/C17H20N4/c1-2-15(18)10-13-4-5-14-6-9-21(16(14)11-13)12-17-19-7-3-8-20-17/h3-9,11,15H,2,10,12,18H2,1H3
InChIKeySOZITXRZUQXTEY-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.76
Rot. Bonds5

About 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine

1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine (PubChem CID 102918008) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
PubChem CID102918008
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(Cc3ncccn3)c2c1
InChIInChI=1S/C17H20N4/c1-2-15(18)10-13-4-5-14-6-9-21(16(14)11-13)12-17-19-7-3-8-20-17/h3-9,11,15H,2,10,12,18H2,1H3
InChIKeySOZITXRZUQXTEY-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
CID 107053885
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
CID 102917957
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-(1-benzylindol-6-yl)-N-methylpropan-2-amine
CID 115107353
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine?
The IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine (CID 102918008) is 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine?
The canonical SMILES for 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine is CCC(N)Cc1ccc2ccn(Cc3ncccn3)c2c1.
What is the InChIKey of 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine?
The InChIKey is SOZITXRZUQXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-15(18)10-13-4-5-14-6-9-21(16(14)11-13)12-17-19-7-3-8-20-17/h3-9,11,15H,2,10,12,18H2,1H3.
What are the key properties of 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine?
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine is sourced from PubChem (CID 102918008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).