N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine

C15H17N3O — CID 175168213

IUPACN-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
SMILESCCOc1ccc2c(c1)CC(Nc1ncccn1)C2
InChIInChI=1S/C15H17N3O/c1-2-19-14-5-4-11-8-13(9-12(11)10-14)18-15-16-6-3-7-17-15/h3-7,10,13H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyFURXVEVYQDCYBB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.45
Rot. Bonds4

About N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine

N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine (PubChem CID 175168213) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
PubChem CID175168213
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
SMILESCCOc1ccc2c(c1)CC(Nc1ncccn1)C2
InChIInChI=1S/C15H17N3O/c1-2-19-14-5-4-11-8-13(9-12(11)10-14)18-15-16-6-3-7-17-15/h3-7,10,13H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyFURXVEVYQDCYBB-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine (CID 175168213) is N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine is CCOc1ccc2c(c1)CC(Nc1ncccn1)C2.
What is the InChIKey of N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
The InChIKey is FURXVEVYQDCYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-19-14-5-4-11-8-13(9-12(11)10-14)18-15-16-6-3-7-17-15/h3-7,10,13H,2,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 175168213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).