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

C22H23N5 — CID 112858907

IUPAC6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C22H23N5/c1-16-6-2-3-7-17(16)13-25-22-12-21(26-15-27-22)23-11-10-18-14-24-20-9-5-4-8-19(18)20/h2-9,12,14-15,24H,10-11,13H2,1H3,(H2,23,25,26,27)
InChIKeyMVRQNDWVAVPPSU-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.53
Rot. Bonds7

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

6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112858907) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112858907
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C22H23N5/c1-16-6-2-3-7-17(16)13-25-22-12-21(26-15-27-22)23-11-10-18-14-24-20-9-5-4-8-19(18)20/h2-9,12,14-15,24H,10-11,13H2,1H3,(H2,23,25,26,27)
InChIKeyMVRQNDWVAVPPSU-UHFFFAOYSA-N
XLogP4.53
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.53
H-Bond Donors ≤ 53
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-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
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
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112858907) is 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1ccccc1CNc1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is MVRQNDWVAVPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-16-6-2-3-7-17(16)13-25-22-12-21(26-15-27-22)23-11-10-18-14-24-20-9-5-4-8-19(18)20/h2-9,12,14-15,24H,10-11,13H2,1H3,(H2,23,25,26,27).
What are the key properties of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 357.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112858907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).