4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine

C24H24N6 — CID 112862352

IUPAC4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESc1ccc2c(CCNc3cc(NCCc4c[nH]c5ccccc45)ncn3)c[nH]c2c1
InChIInChI=1S/C24H24N6/c1-3-7-21-19(5-1)17(14-27-21)9-11-25-23-13-24(30-16-29-23)26-12-10-18-15-28-22-8-4-2-6-20(18)22/h1-8,13-16,27-28H,9-12H2,(H2,25,26,29,30)
InChIKeyAZQOHTHKOGWOLI-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.75
Rot. Bonds8

About 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine

4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112862352) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID112862352
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESc1ccc2c(CCNc3cc(NCCc4c[nH]c5ccccc45)ncn3)c[nH]c2c1
InChIInChI=1S/C24H24N6/c1-3-7-21-19(5-1)17(14-27-21)9-11-25-23-13-24(30-16-29-23)26-12-10-18-15-28-22-8-4-2-6-20(18)22/h1-8,13-16,27-28H,9-12H2,(H2,25,26,29,30)
InChIKeyAZQOHTHKOGWOLI-UHFFFAOYSA-N
XLogP4.75
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
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 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 112862352) is 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is c1ccc2c(CCNc3cc(NCCc4c[nH]c5ccccc45)ncn3)c[nH]c2c1.
What is the InChIKey of 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is AZQOHTHKOGWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-3-7-21-19(5-1)17(14-27-21)9-11-25-23-13-24(30-16-29-23)26-12-10-18-15-28-22-8-4-2-6-20(18)22/h1-8,13-16,27-28H,9-12H2,(H2,25,26,29,30).
What are the key properties of 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 396.50 g/mol, XLogP of 4.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).