2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C23H23N5 — CID 71244758

IUPAC2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccccc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N)c2C1
InChIInChI=1S/C23H23N5/c1-14-6-3-4-9-20(14)28-11-10-18-17(13-28)22(24)27-23(26-18)16-7-5-8-19-21(16)15(2)12-25-19/h3-9,12,25H,10-11,13H2,1-2H3,(H2,24,26,27)
InChIKeyZQMRXRQQMVMXHJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.39
Rot. Bonds2

About 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 71244758) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID71244758
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccccc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N)c2C1
InChIInChI=1S/C23H23N5/c1-14-6-3-4-9-20(14)28-11-10-18-17(13-28)22(24)27-23(26-18)16-7-5-8-19-21(16)15(2)12-25-19/h3-9,12,25H,10-11,13H2,1-2H3,(H2,24,26,27)
InChIKeyZQMRXRQQMVMXHJ-UHFFFAOYSA-N
XLogP4.39
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 71244758) is 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccccc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N)c2C1.
What is the InChIKey of 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is ZQMRXRQQMVMXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-14-6-3-4-9-20(14)28-11-10-18-17(13-28)22(24)27-23(26-18)16-7-5-8-19-21(16)15(2)12-25-19/h3-9,12,25H,10-11,13H2,1-2H3,(H2,24,26,27).
What are the key properties of 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71244758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).