2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine

C22H20N6 — CID 123687026

IUPAC2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc2ccccc2n1CNc1ccnc(Nc2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H20N6/c1-15-13-16-5-2-3-8-20(16)28(15)14-25-21-10-12-24-22(27-21)26-19-7-4-6-18-17(19)9-11-23-18/h2-13,23H,14H2,1H3,(H2,24,25,26,27)
InChIKeyOYQNBVPNQKKJMV-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.03
Rot. Bonds5

About 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine

2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 123687026) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
PubChem CID123687026
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc2ccccc2n1CNc1ccnc(Nc2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H20N6/c1-15-13-16-5-2-3-8-20(16)28(15)14-25-21-10-12-24-22(27-21)26-19-7-4-6-18-17(19)9-11-23-18/h2-13,23H,14H2,1H3,(H2,24,25,26,27)
InChIKeyOYQNBVPNQKKJMV-UHFFFAOYSA-N
XLogP5.03
TPSA70.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
CID 123549347
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112896693
2-N-(2,5-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896700
2-N-(2-ethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896705
N-(1H-indol-4-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 169450726
2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703
4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
CID 123314753
4-[[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]amino]-1H-indole-6-carboxylic acid
CID 67470672
N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
CID 146147973
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112896767

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine (CID 123687026) is 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine is Cc1cc2ccccc2n1CNc1ccnc(Nc2cccc3[nH]ccc23)n1.
What is the InChIKey of 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OYQNBVPNQKKJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-15-13-16-5-2-3-8-20(16)28(15)14-25-21-10-12-24-22(27-21)26-19-7-4-6-18-17(19)9-11-23-18/h2-13,23H,14H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 368.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 123687026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).