2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine

C25H28N4O — CID 159854671

IUPAC2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)Cc1nc(Cc3ccccc3)nc(NCCN3CCOCC3)c1-2
InChIInChI=1S/C25H28N4O/c1-18-7-8-21-20(15-18)17-22-24(21)25(26-9-10-29-11-13-30-14-12-29)28-23(27-22)16-19-5-3-2-4-6-19/h2-8,15H,9-14,16-17H2,1H3,(H,26,27,28)
InChIKeyRYKHVGVZPSPQSI-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.69
Rot. Bonds6

About 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine

2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine (PubChem CID 159854671) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine
PubChem CID159854671
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)Cc1nc(Cc3ccccc3)nc(NCCN3CCOCC3)c1-2
InChIInChI=1S/C25H28N4O/c1-18-7-8-21-20(15-18)17-22-24(21)25(26-9-10-29-11-13-30-14-12-29)28-23(27-22)16-19-5-3-2-4-6-19/h2-8,15H,9-14,16-17H2,1H3,(H,26,27,28)
InChIKeyRYKHVGVZPSPQSI-UHFFFAOYSA-N
XLogP3.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 159626125
11-benzyl-5-methyl-N-(3-piperidin-1-ylpropyl)-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 160556515
1-[3-[(2-benzyl-7-methyl-9H-indeno[2,1-d]pyrimidin-4-yl)amino]propyl-methylamino]-3-phenylmethoxypropan-2-ol
CID 158695776
3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide
CID 158220237
7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 10065176
4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine
CID 157288816
4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine
CID 160530165
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine (CID 159854671) is 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine is Cc1ccc2c(c1)Cc1nc(Cc3ccccc3)nc(NCCN3CCOCC3)c1-2.
What is the InChIKey of 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The InChIKey is RYKHVGVZPSPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-7-8-21-20(15-18)17-22-24(21)25(26-9-10-29-11-13-30-14-12-29)28-23(27-22)16-19-5-3-2-4-6-19/h2-8,15H,9-14,16-17H2,1H3,(H,26,27,28).
What are the key properties of 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine has a molecular weight of 400.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine is sourced from PubChem (CID 159854671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).