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

C23H25N5 — CID 112932688

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C23H25N5/c1-16(2)26-22-14-21(17-8-4-3-5-9-17)27-23(28-22)24-13-12-18-15-25-20-11-7-6-10-19(18)20/h3-11,14-16,25H,12-13H2,1-2H3,(H2,24,26,27,28)
InChIKeyLMBZZRXMNIVNSU-UHFFFAOYSA-N
MW371.49 g/mol
LogP5.10
Rot. Bonds7

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

2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932688) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932688
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C23H25N5/c1-16(2)26-22-14-21(17-8-4-3-5-9-17)27-23(28-22)24-13-12-18-15-25-20-11-7-6-10-19(18)20/h3-11,14-16,25H,12-13H2,1-2H3,(H2,24,26,27,28)
InChIKeyLMBZZRXMNIVNSU-UHFFFAOYSA-N
XLogP5.10
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
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-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919733
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932661
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
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
2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 146598297
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932688) is 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(-c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is LMBZZRXMNIVNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-16(2)26-22-14-21(17-8-4-3-5-9-17)27-23(28-22)24-13-12-18-15-25-20-11-7-6-10-19(18)20/h3-11,14-16,25H,12-13H2,1-2H3,(H2,24,26,27,28).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 371.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).