[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine

C14H14N4 — CID 116857643

IUPAC[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H14N4/c1-9-17-10(7-15)6-14(18-9)12-8-16-13-5-3-2-4-11(12)13/h2-6,8,16H,7,15H2,1H3
InChIKeyBKAVFKDIBOXFCJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.39
Rot. Bonds2

About [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine

[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine (PubChem CID 116857643) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
PubChem CID116857643
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H14N4/c1-9-17-10(7-15)6-14(18-9)12-8-16-13-5-3-2-4-11(12)13/h2-6,8,16H,7,15H2,1H3
InChIKeyBKAVFKDIBOXFCJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(chloromethyl)-6-methylpyrimidin-4-yl]-1H-indole
CID 116893698
1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896681
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
2-[5-(1H-indol-3-yl)pyrazin-2-yl]ethanamine
CID 82388672
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
CID 136988627

Frequently Asked Questions

What is the IUPAC name of [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine (CID 116857643) is [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine is Cc1nc(CN)cc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine?
The InChIKey is BKAVFKDIBOXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-17-10(7-15)6-14(18-9)12-8-16-13-5-3-2-4-11(12)13/h2-6,8,16H,7,15H2,1H3.
What are the key properties of [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine?
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 116857643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).