N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine

C24H27N5O — CID 134134898

IUPACN',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine
SMILESC[C@@H](Nc1ncnc2oc(-c3ccc(NCCN(C)C)cc3)cc12)c1ccccc1
InChIInChI=1S/C24H27N5O/c1-17(18-7-5-4-6-8-18)28-23-21-15-22(30-24(21)27-16-26-23)19-9-11-20(12-10-19)25-13-14-29(2)3/h4-12,15-17,25H,13-14H2,1-3H3,(H,26,27,28)/t17-/m1/s1
InChIKeyQJXSNAGEGZAXGL-QGZVFWFLSA-N
MW401.51 g/mol
LogP5.04
Rot. Bonds8

About N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine (PubChem CID 134134898) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine
PubChem CID134134898
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine
SMILESC[C@@H](Nc1ncnc2oc(-c3ccc(NCCN(C)C)cc3)cc12)c1ccccc1
InChIInChI=1S/C24H27N5O/c1-17(18-7-5-4-6-8-18)28-23-21-15-22(30-24(21)27-16-26-23)19-9-11-20(12-10-19)25-13-14-29(2)3/h4-12,15-17,25H,13-14H2,1-3H3,(H,26,27,28)/t17-/m1/s1
InChIKeyQJXSNAGEGZAXGL-QGZVFWFLSA-N
XLogP5.04
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine 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',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine (CID 134134898) is N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine is C[C@@H](Nc1ncnc2oc(-c3ccc(NCCN(C)C)cc3)cc12)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine?
The InChIKey is QJXSNAGEGZAXGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17(18-7-5-4-6-8-18)28-23-21-15-22(30-24(21)27-16-26-23)19-9-11-20(12-10-19)25-13-14-29(2)3/h4-12,15-17,25H,13-14H2,1-3H3,(H,26,27,28)/t17-/m1/s1.
What are the key properties of N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine has a molecular weight of 401.51 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-[4-[[(1R)-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 134134898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).