N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine

C17H14N4O — CID 146674206

IUPACN-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESc1ccc(Nc2ncc(-c3cncnc3)c3c2OCC3)cc1
InChIInChI=1S/C17H14N4O/c1-2-4-13(5-3-1)21-17-16-14(6-7-22-16)15(10-20-17)12-8-18-11-19-9-12/h1-5,8-11H,6-7H2,(H,20,21)
InChIKeyHVNDLXXEVMDHCX-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.22
Rot. Bonds3

About N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine

N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 146674206) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID146674206
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESc1ccc(Nc2ncc(-c3cncnc3)c3c2OCC3)cc1
InChIInChI=1S/C17H14N4O/c1-2-4-13(5-3-1)21-17-16-14(6-7-22-16)15(10-20-17)12-8-18-11-19-9-12/h1-5,8-11H,6-7H2,(H,20,21)
InChIKeyHVNDLXXEVMDHCX-UHFFFAOYSA-N
XLogP3.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 146674206) is N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine is c1ccc(Nc2ncc(-c3cncnc3)c3c2OCC3)cc1.
What is the InChIKey of N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is HVNDLXXEVMDHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-4-13(5-3-1)21-17-16-14(6-7-22-16)15(10-20-17)12-8-18-11-19-9-12/h1-5,8-11H,6-7H2,(H,20,21).
What are the key properties of N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 290.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyrimidin-5-yl-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 146674206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).