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

C23H25N5 — CID 112932553

IUPAC4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2c[nH]c3ccccc23)cc(-c2ccccc2)n1
InChIInChI=1S/C23H25N5/c1-2-13-25-23-27-21(17-8-4-3-5-9-17)15-22(28-23)24-14-12-18-16-26-20-11-7-6-10-19(18)20/h3-11,15-16,26H,2,12-14H2,1H3,(H2,24,25,27,28)
InChIKeyUWZLATYERGUNNI-UHFFFAOYSA-N
MW371.49 g/mol
LogP5.10
Rot. Bonds8

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

4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112932553) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID112932553
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2c[nH]c3ccccc23)cc(-c2ccccc2)n1
InChIInChI=1S/C23H25N5/c1-2-13-25-23-27-21(17-8-4-3-5-9-17)15-22(28-23)24-14-12-18-16-26-20-11-7-6-10-19(18)20/h3-11,15-16,26H,2,12-14H2,1H3,(H2,24,25,27,28)
InChIKeyUWZLATYERGUNNI-UHFFFAOYSA-N
XLogP5.10
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932688
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919733
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880267
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 112932553) is 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(NCCc2c[nH]c3ccccc23)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UWZLATYERGUNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-2-13-25-23-27-21(17-8-4-3-5-9-17)15-22(28-23)24-14-12-18-16-26-20-11-7-6-10-19(18)20/h3-11,15-16,26H,2,12-14H2,1H3,(H2,24,25,27,28).
What are the key properties of 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 371.49 g/mol, XLogP of 5.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).