[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine

C14H14N4 — CID 116857550

IUPAC[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
SMILESCn1cc(-c2cc(CN)ncn2)c2ccccc21
InChIInChI=1S/C14H14N4/c1-18-8-12(11-4-2-3-5-14(11)18)13-6-10(7-15)16-9-17-13/h2-6,8-9H,7,15H2,1H3
InChIKeyXOEABJKXYLEEPN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.09
Rot. Bonds2

About [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine

[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine (PubChem CID 116857550) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
PubChem CID116857550
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
SMILESCn1cc(-c2cc(CN)ncn2)c2ccccc21
InChIInChI=1S/C14H14N4/c1-18-8-12(11-4-2-3-5-14(11)18)13-6-10(7-15)16-9-17-13/h2-6,8-9H,7,15H2,1H3
InChIKeyXOEABJKXYLEEPN-UHFFFAOYSA-N
XLogP2.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062
N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine
CID 82486363
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile
CID 116864596
5-methylpyrrolo[2,3-c]quinoline
CID 46228107
3-(1-methylindol-3-yl)-1,2-oxazole
CID 12938679
5-(1-methylindol-3-yl)-1,3-oxazol-2-amine
CID 82284357
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
2-(1-methylindol-3-yl)aniline
CID 138983733
[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine
CID 115114104
2-[3-(1-methylindol-3-yl)phenyl]ethanamine
CID 82039841

Frequently Asked Questions

What is the IUPAC name of [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine (CID 116857550) is [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine is Cn1cc(-c2cc(CN)ncn2)c2ccccc21.
What is the InChIKey of [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine?
The InChIKey is XOEABJKXYLEEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18-8-12(11-4-2-3-5-14(11)18)13-6-10(7-15)16-9-17-13/h2-6,8-9H,7,15H2,1H3.
What are the key properties of [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine?
[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 116857550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).