6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine

C26H29N5O2 — CID 134155488

IUPAC6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2oc(-c3ccc(NCCN4CCOCC4)cc3)cc12)c1ccccc1
InChIInChI=1S/C26H29N5O2/c1-19(20-5-3-2-4-6-20)30-25-23-17-24(33-26(23)29-18-28-25)21-7-9-22(10-8-21)27-11-12-31-13-15-32-16-14-31/h2-10,17-19,27H,11-16H2,1H3,(H,28,29,30)/t19-/m1/s1
InChIKeyIXWNBJIHUPTSDI-LJQANCHMSA-N
MW443.55 g/mol
LogP4.81
Rot. Bonds8

About 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine

6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine (PubChem CID 134155488) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine
PubChem CID134155488
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2oc(-c3ccc(NCCN4CCOCC4)cc3)cc12)c1ccccc1
InChIInChI=1S/C26H29N5O2/c1-19(20-5-3-2-4-6-20)30-25-23-17-24(33-26(23)29-18-28-25)21-7-9-22(10-8-21)27-11-12-31-13-15-32-16-14-31/h2-10,17-19,27H,11-16H2,1H3,(H,28,29,30)/t19-/m1/s1
InChIKeyIXWNBJIHUPTSDI-LJQANCHMSA-N
XLogP4.81
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine (CID 134155488) is 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2oc(-c3ccc(NCCN4CCOCC4)cc3)cc12)c1ccccc1.
What is the InChIKey of 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
The InChIKey is IXWNBJIHUPTSDI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19(20-5-3-2-4-6-20)30-25-23-17-24(33-26(23)29-18-28-25)21-7-9-22(10-8-21)27-11-12-31-13-15-32-16-14-31/h2-10,17-19,27H,11-16H2,1H3,(H,28,29,30)/t19-/m1/s1.
What are the key properties of 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine?
6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine has a molecular weight of 443.55 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-morpholin-4-ylethylamino)phenyl]-N-[(1R)-1-phenylethyl]furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134155488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).