1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine

C16H18N4 — CID 66404853

IUPAC1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2ncccn2)c2ccccc12
InChIInChI=1S/C16H18N4/c1-12(17)9-13-10-20(11-16-18-7-4-8-19-16)15-6-3-2-5-14(13)15/h2-8,10,12H,9,11,17H2,1H3
InChIKeyUZZYGFGRHJRMAI-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine

1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine (PubChem CID 66404853) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
PubChem CID66404853
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2ncccn2)c2ccccc12
InChIInChI=1S/C16H18N4/c1-12(17)9-13-10-20(11-16-18-7-4-8-19-16)15-6-3-2-5-14(13)15/h2-8,10,12H,9,11,17H2,1H3
InChIKeyUZZYGFGRHJRMAI-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine (CID 66404853) is 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine is CC(N)Cc1cn(Cc2ncccn2)c2ccccc12.
What is the InChIKey of 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine?
The InChIKey is UZZYGFGRHJRMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(17)9-13-10-20(11-16-18-7-4-8-19-16)15-6-3-2-5-14(13)15/h2-8,10,12H,9,11,17H2,1H3.
What are the key properties of 1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine?
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.37, 4 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-3-yl]propan-2-amine is sourced from PubChem (CID 66404853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).