4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine

C25H28N4O — CID 166631046

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2
InChIInChI=1S/C25H28N4O/c26-25-27-23(22-17-19-7-2-3-8-21(19)24(22)28-25)18-9-11-20(12-10-18)30-16-6-15-29-13-4-1-5-14-29/h2-3,7-12H,1,4-6,13-17H2,(H2,26,27,28)
InChIKeyQYDDQJVHZBTEMT-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.55
Rot. Bonds6

About 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine

4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine (PubChem CID 166631046) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
PubChem CID166631046
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2
InChIInChI=1S/C25H28N4O/c26-25-27-23(22-17-19-7-2-3-8-21(19)24(22)28-25)18-9-11-20(12-10-18)30-16-6-15-29-13-4-1-5-14-29/h2-3,7-12H,1,4-6,13-17H2,(H2,26,27,28)
InChIKeyQYDDQJVHZBTEMT-UHFFFAOYSA-N
XLogP4.55
TPSA64.27 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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Phenoxybutyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155544485
2-Amino-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one
CID 166632350
7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
CID 166633096
2-Amino-7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one
CID 166636201
5-(Aminomethyl)-6-(4-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236556
4-[4-(2-Morpholin-4-ylethoxy)phenyl]-6-(4-prop-2-ynoxyphenyl)pyrimidin-2-amine
CID 162669604
2-Amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one
CID 166627333
A1R/A2AR/H3R multitargeting ligand ST-1992
CID 166629136
4-phenyl-8-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 166632657
4-phenyl-7-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 166633426
4-phenyl-8-(3-piperidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 166634499
4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 166635863

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine (CID 166631046) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine is Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
The InChIKey is QYDDQJVHZBTEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c26-25-27-23(22-17-19-7-2-3-8-21(19)24(22)28-25)18-9-11-20(12-10-18)30-16-6-15-29-13-4-1-5-14-29/h2-3,7-12H,1,4-6,13-17H2,(H2,26,27,28).
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine has a molecular weight of 400.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166631046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).