N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine

C15H16N4O — CID 82453535

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H16N4O/c1-20-15-8-14(18-10-19-15)16-7-6-11-9-17-13-5-3-2-4-12(11)13/h2-5,8-10,17H,6-7H2,1H3,(H,16,18,19)
InChIKeyHTGXMIWKDURAQH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 82453535) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID82453535
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H16N4O/c1-20-15-8-14(18-10-19-15)16-7-6-11-9-17-13-5-3-2-4-12(11)13/h2-5,8-10,17H,6-7H2,1H3,(H,16,18,19)
InChIKeyHTGXMIWKDURAQH-UHFFFAOYSA-N
XLogP2.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437
4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455159
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine (CID 82453535) is N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine is COc1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is HTGXMIWKDURAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-15-8-14(18-10-19-15)16-7-6-11-9-17-13-5-3-2-4-12(11)13/h2-5,8-10,17H,6-7H2,1H3,(H,16,18,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 82453535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).