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

C23H25N5O — CID 112880267

IUPAC6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOCCNc1cc(NCCc2c[nH]c3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C23H25N5O/c1-29-14-13-25-22-15-21(27-23(28-22)17-7-3-2-4-8-17)24-12-11-18-16-26-20-10-6-5-9-19(18)20/h2-10,15-16,26H,11-14H2,1H3,(H2,24,25,27,28)
InChIKeyGREXEXBSNVFQFO-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.34
Rot. Bonds9

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

6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880267) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880267
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOCCNc1cc(NCCc2c[nH]c3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C23H25N5O/c1-29-14-13-25-22-15-21(27-23(28-22)17-7-3-2-4-8-17)24-12-11-18-16-26-20-10-6-5-9-19(18)20/h2-10,15-16,26H,11-14H2,1H3,(H2,24,25,27,28)
InChIKeyGREXEXBSNVFQFO-UHFFFAOYSA-N
XLogP4.34
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155536111
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886032
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
5-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227676
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine (CID 112880267) is 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine is COCCNc1cc(NCCc2c[nH]c3ccccc23)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is GREXEXBSNVFQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-29-14-13-25-22-15-21(27-23(28-22)17-7-3-2-4-8-17)24-12-11-18-16-26-20-10-6-5-9-19(18)20/h2-10,15-16,26H,11-14H2,1H3,(H2,24,25,27,28).
What are the key properties of 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 387.49 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).