N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine

C22H22N4 — CID 146429421

IUPACN-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine
SMILESC=C(c1c[nH]c2c1=CCCC=2)C(Nc1nccc(C)n1)c1ccccc1
InChIInChI=1S/C22H22N4/c1-15-12-13-23-22(25-15)26-21(17-8-4-3-5-9-17)16(2)19-14-24-20-11-7-6-10-18(19)20/h3-5,8-14,21,24H,2,6-7H2,1H3,(H,23,25,26)
InChIKeyPNEDQXUTMIGSSZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine

N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine (PubChem CID 146429421) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine
PubChem CID146429421
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC NameN-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine
SMILESC=C(c1c[nH]c2c1=CCCC=2)C(Nc1nccc(C)n1)c1ccccc1
InChIInChI=1S/C22H22N4/c1-15-12-13-23-22(25-15)26-21(17-8-4-3-5-9-17)16(2)19-14-24-20-11-7-6-10-18(19)20/h3-5,8-14,21,24H,2,6-7H2,1H3,(H,23,25,26)
InChIKeyPNEDQXUTMIGSSZ-UHFFFAOYSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine (CID 146429421) is N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine is C=C(c1c[nH]c2c1=CCCC=2)C(Nc1nccc(C)n1)c1ccccc1.
What is the InChIKey of N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine?
The InChIKey is PNEDQXUTMIGSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-12-13-23-22(25-15)26-21(17-8-4-3-5-9-17)16(2)19-14-24-20-11-7-6-10-18(19)20/h3-5,8-14,21,24H,2,6-7H2,1H3,(H,23,25,26).
What are the key properties of N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine?
N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-1H-indol-3-yl)-1-phenylprop-2-enyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 146429421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).