5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine

C27H30N4O2 — CID 11626406

IUPAC5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30)
InChIKeySSVDSZIWJBBCNN-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.85
Rot. Bonds8

About 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine

5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine (PubChem CID 11626406) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
PubChem CID11626406
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30)
InChIKeySSVDSZIWJBBCNN-UHFFFAOYSA-N
XLogP5.85
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine (CID 11626406) is 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine is CC(C)Nc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
The InChIKey is SSVDSZIWJBBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30).
What are the key properties of 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine?
5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine has a molecular weight of 442.56 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11626406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).