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

C31H34N4 — CID 159626125

IUPAC7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)Cc1nc(Cc3ccc4ccccc4c3)nc(NCCCN3CCCCC3)c1-2
InChIInChI=1S/C31H34N4/c1-22-10-13-27-26(18-22)21-28-30(27)31(32-14-7-17-35-15-5-2-6-16-35)34-29(33-28)20-23-11-12-24-8-3-4-9-25(24)19-23/h3-4,8-13,18-19H,2,5-7,14-17,20-21H2,1H3,(H,32,33,34)
InChIKeyKTQCYGHSEIOZOV-UHFFFAOYSA-N
MW462.64 g/mol
LogP6.39
Rot. Bonds7

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

7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine (PubChem CID 159626125) has the molecular formula C31H34N4 and a molecular weight of 462.64 g/mol. Its IUPAC name is 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
PubChem CID159626125
Molecular FormulaC31H34N4
Molecular Weight462.64 g/mol
Exact Mass462.28
IUPAC Name7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)Cc1nc(Cc3ccc4ccccc4c3)nc(NCCCN3CCCCC3)c1-2
InChIInChI=1S/C31H34N4/c1-22-10-13-27-26(18-22)21-28-30(27)31(32-14-7-17-35-15-5-2-6-16-35)34-29(33-28)20-23-11-12-24-8-3-4-9-25(24)19-23/h3-4,8-13,18-19H,2,5-7,14-17,20-21H2,1H3,(H,32,33,34)
InChIKeyKTQCYGHSEIOZOV-UHFFFAOYSA-N
XLogP6.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-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

2-[(3-bromophenyl)methyl]-7-methyl-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 160802541
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
7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine
CID 157288816
methyl 2-(naphthalen-2-ylmethyl)-4-(3-piperidin-1-ylpropylamino)-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 71714953
1-[2-(1-phenylethyl)-4-(3-piperidin-1-ylpropylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
CID 148526543
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
methyl 2-(naphthalen-2-ylmethyl)-4-(3-piperidin-1-ylpropylamino)-9H-pyrimido[4,5-b]indole-7-carboxylate;2,2,2-trifluoroacetic acid
CID 71714952
methyl 2-[(4-methylphenyl)methyl]-4-(3-piperidin-1-ylpropylamino)-7,9-dihydro-6H-pyrimido[4,5-b]indole-7-carboxylate
CID 138630945
5-methyl-13-(3-piperidin-1-ylpropylsulfanyl)-11-(thiophen-3-ylmethyl)-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158697291
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine (CID 159626125) is 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine is Cc1ccc2c(c1)Cc1nc(Cc3ccc4ccccc4c3)nc(NCCCN3CCCCC3)c1-2.
What is the InChIKey of 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The InChIKey is KTQCYGHSEIOZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4/c1-22-10-13-27-26(18-22)21-28-30(27)31(32-14-7-17-35-15-5-2-6-16-35)34-29(33-28)20-23-11-12-24-8-3-4-9-25(24)19-23/h3-4,8-13,18-19H,2,5-7,14-17,20-21H2,1H3,(H,32,33,34).
What are the key properties of 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine has a molecular weight of 462.64 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine is sourced from PubChem (CID 159626125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).