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

C21H22N6 — CID 112919733

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccncc2)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H22N6/c1-15-12-20(25-13-16-6-9-22-10-7-16)27-21(26-15)23-11-8-17-14-24-19-5-3-2-4-18(17)19/h2-7,9-10,12,14,24H,8,11,13H2,1H3,(H2,23,25,26,27)
InChIKeyNWOXKQLMFSZMLZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.93
Rot. Bonds7

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

2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919733) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919733
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccncc2)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H22N6/c1-15-12-20(25-13-16-6-9-22-10-7-16)27-21(26-15)23-11-8-17-14-24-19-5-3-2-4-18(17)19/h2-7,9-10,12,14,24H,8,11,13H2,1H3,(H2,23,25,26,27)
InChIKeyNWOXKQLMFSZMLZ-UHFFFAOYSA-N
XLogP3.93
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
4-N-(2,4-difluorophenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922491
2-[[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112922493
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
2-N-(1,3-benzodioxol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922428
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935022
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112919733) is 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccncc2)nc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NWOXKQLMFSZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-15-12-20(25-13-16-6-9-22-10-7-16)27-21(26-15)23-11-8-17-14-24-19-5-3-2-4-18(17)19/h2-7,9-10,12,14,24H,8,11,13H2,1H3,(H2,23,25,26,27).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 3.93, 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]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).