N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H14N4 — CID 10198864

IUPACN-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3c(c2)CCC3)c2cc[nH]c2n1
InChIInChI=1S/C15H14N4/c1-2-10-4-5-12(8-11(10)3-1)19-15-13-6-7-16-14(13)17-9-18-15/h4-9H,1-3H2,(H2,16,17,18,19)
InChIKeyLCIFSVQFOVMDJI-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.19
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10198864) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10198864
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3c(c2)CCC3)c2cc[nH]c2n1
InChIInChI=1S/C15H14N4/c1-2-10-4-5-12(8-11(10)3-1)19-15-13-6-7-16-14(13)17-9-18-15/h4-9H,1-3H2,(H2,16,17,18,19)
InChIKeyLCIFSVQFOVMDJI-UHFFFAOYSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10198864) is N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1nc(Nc2ccc3c(c2)CCC3)c2cc[nH]c2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LCIFSVQFOVMDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-10-4-5-12(8-11(10)3-1)19-15-13-6-7-16-14(13)17-9-18-15/h4-9H,1-3H2,(H2,16,17,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 250.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10198864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).