1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine

C14H14N4 — CID 116897574

IUPAC1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
SMILESCC(N)c1nccc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H14N4/c1-9(15)14-16-7-6-13(18-14)11-8-17-12-5-3-2-4-10(11)12/h2-9,17H,15H2,1H3
InChIKeyAXZYUFMVLNJVLV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine

1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine (PubChem CID 116897574) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
PubChem CID116897574
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
SMILESCC(N)c1nccc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H14N4/c1-9(15)14-16-7-6-13(18-14)11-8-17-12-5-3-2-4-10(11)12/h2-9,17H,15H2,1H3
InChIKeyAXZYUFMVLNJVLV-UHFFFAOYSA-N
XLogP2.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902491
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one
CID 13088239
1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
4-(1H-indol-4-yl)pyrimidin-2-amine
CID 24957719
1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
CID 116897584
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine (CID 116897574) is 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine is CC(N)c1nccc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is AXZYUFMVLNJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9(15)14-16-7-6-13(18-14)11-8-17-12-5-3-2-4-10(11)12/h2-9,17H,15H2,1H3.
What are the key properties of 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine?
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).