N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine

C30H34N4O3 — CID 58603273

IUPACN-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c23)cc1
InChIInChI=1S/C30H34N4O3/c1-3-8-22(9-4-1)26-27-29(31-20-25-10-7-18-35-25)32-21-33-30(27)37-28(26)23-11-13-24(14-12-23)36-19-17-34-15-5-2-6-16-34/h1,3-4,8-9,11-14,21,25H,2,5-7,10,15-20H2,(H,31,32,33)/t25-/m0/s1
InChIKeySBDYHEKNOMVAEW-VWLOTQADSA-N
MW498.63 g/mol
LogP6.01
Rot. Bonds9

About N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine (PubChem CID 58603273) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
PubChem CID58603273
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c23)cc1
InChIInChI=1S/C30H34N4O3/c1-3-8-22(9-4-1)26-27-29(31-20-25-10-7-18-35-25)32-21-33-30(27)37-28(26)23-11-13-24(14-12-23)36-19-17-34-15-5-2-6-16-34/h1,3-4,8-9,11-14,21,25H,2,5-7,10,15-20H2,(H,31,32,33)/t25-/m0/s1
InChIKeySBDYHEKNOMVAEW-VWLOTQADSA-N
XLogP6.01
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[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-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine (CID 58603273) is N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine is c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c23)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The InChIKey is SBDYHEKNOMVAEW-VWLOTQADSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-3-8-22(9-4-1)26-27-29(31-20-25-10-7-18-35-25)32-21-33-30(27)37-28(26)23-11-13-24(14-12-23)36-19-17-34-15-5-2-6-16-34/h1,3-4,8-9,11-14,21,25H,2,5-7,10,15-20H2,(H,31,32,33)/t25-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine has a molecular weight of 498.63 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58603273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).