7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine

C28H36N4 — CID 157288816

IUPAC7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine
SMILESCc1cccc(Cc2nc3c(c(NCCCN4CCCCC4)n2)C2=CCC(C)C=C2C3)c1
InChIInChI=1S/C28H36N4/c1-20-8-6-9-22(16-20)18-26-30-25-19-23-17-21(2)10-11-24(23)27(25)28(31-26)29-12-7-15-32-13-4-3-5-14-32/h6,8-9,11,16-17,21H,3-5,7,10,12-15,18-19H2,1-2H3,(H,29,30,31)
InChIKeyBAOAOVMNPXZEEY-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.57
Rot. Bonds7

About 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine

7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine (PubChem CID 157288816) has the molecular formula C28H36N4 and a molecular weight of 428.62 g/mol. Its IUPAC name is 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine
PubChem CID157288816
Molecular FormulaC28H36N4
Molecular Weight428.62 g/mol
Exact Mass428.29
IUPAC Name7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine
SMILESCc1cccc(Cc2nc3c(c(NCCCN4CCCCC4)n2)C2=CCC(C)C=C2C3)c1
InChIInChI=1S/C28H36N4/c1-20-8-6-9-22(16-20)18-26-30-25-19-23-17-21(2)10-11-24(23)27(25)28(31-26)29-12-7-15-32-13-4-3-5-14-32/h6,8-9,11,16-17,21H,3-5,7,10,12-15,18-19H2,1-2H3,(H,29,30,31)
InChIKeyBAOAOVMNPXZEEY-UHFFFAOYSA-N
XLogP5.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methyl]-7-methyl-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 160802541
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-[4-(3-piperidin-1-ylpropylamino)-2-(pyridin-4-ylmethyl)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
CID 149273487
3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide
CID 158220237
2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 159854671
methyl 2-[(4-methylphenyl)methyl]-4-(3-piperidin-1-ylpropylamino)-7,9-dihydro-6H-pyrimido[4,5-b]indole-7-carboxylate
CID 138630945
N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472106
methyl 2-(naphthalen-2-ylmethyl)-4-(3-piperidin-1-ylpropylamino)-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 71714953
N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191304
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
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine (CID 157288816) is 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine is Cc1cccc(Cc2nc3c(c(NCCCN4CCCCC4)n2)C2=CCC(C)C=C2C3)c1.
What is the InChIKey of 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine?
The InChIKey is BAOAOVMNPXZEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4/c1-20-8-6-9-22(16-20)18-26-30-25-19-23-17-21(2)10-11-24(23)27(25)28(31-26)29-12-7-15-32-13-4-3-5-14-32/h6,8-9,11,16-17,21H,3-5,7,10,12-15,18-19H2,1-2H3,(H,29,30,31).
What are the key properties of 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine?
7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine has a molecular weight of 428.62 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine is sourced from PubChem (CID 157288816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).