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

C20H20N6 — CID 112893147

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCCc3c[nH]c4ccccc34)n2)nc1
InChIInChI=1S/C20H20N6/c1-2-7-18-17(6-1)15(13-24-18)8-11-22-20-23-12-9-19(26-20)25-14-16-5-3-4-10-21-16/h1-7,9-10,12-13,24H,8,11,14H2,(H2,22,23,25,26)
InChIKeyIAFHIVAWYFKYHQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.62
Rot. Bonds7

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

2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893147) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893147
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCCc3c[nH]c4ccccc34)n2)nc1
InChIInChI=1S/C20H20N6/c1-2-7-18-17(6-1)15(13-24-18)8-11-22-20-23-12-9-19(26-20)25-14-16-5-3-4-10-21-16/h1-7,9-10,12-13,24H,8,11,14H2,(H2,22,23,25,26)
InChIKeyIAFHIVAWYFKYHQ-UHFFFAOYSA-N
XLogP3.62
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893305
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886032
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887299
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887471
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112896693
2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703
4-[[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112896849
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895241

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112893147) is 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is c1ccc(CNc2ccnc(NCCc3c[nH]c4ccccc34)n2)nc1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IAFHIVAWYFKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-7-18-17(6-1)15(13-24-18)8-11-22-20-23-12-9-19(26-20)25-14-16-5-3-4-10-21-16/h1-7,9-10,12-13,24H,8,11,14H2,(H2,22,23,25,26).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).