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

C20H18ClN5 — CID 112862383

IUPAC4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1
InChIInChI=1S/C20H18ClN5/c21-15-5-7-16(8-6-15)26-20-11-19(24-13-25-20)22-10-9-14-12-23-18-4-2-1-3-17(14)18/h1-8,11-13,23H,9-10H2,(H2,22,24,25,26)
InChIKeyIGAVVDGETXCBFK-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.01
Rot. Bonds6

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

4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112862383) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID112862383
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1
InChIInChI=1S/C20H18ClN5/c21-15-5-7-16(8-6-15)26-20-11-19(24-13-25-20)22-10-9-14-12-23-18-4-2-1-3-17(14)18/h1-8,11-13,23H,9-10H2,(H2,22,24,25,26)
InChIKeyIGAVVDGETXCBFK-UHFFFAOYSA-N
XLogP5.01
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.01
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
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
5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955870
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
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 166596732
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874867

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 112862383) is 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is Clc1ccc(Nc2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is IGAVVDGETXCBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c21-15-5-7-16(8-6-15)26-20-11-19(24-13-25-20)22-10-9-14-12-23-18-4-2-1-3-17(14)18/h1-8,11-13,23H,9-10H2,(H2,22,24,25,26).
What are the key properties of 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 363.85 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112862383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).