2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane

C17H16ClN5O — CID 142498170

IUPAC2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
SMILESCC.Clc1nc(Nc2cn(-c3ccccc3)cn2)c2occc2n1
InChIInChI=1S/C15H10ClN5O.C2H6/c16-15-18-11-6-7-22-13(11)14(20-15)19-12-8-21(9-17-12)10-4-2-1-3-5-10;1-2/h1-9H,(H,18,19,20);1-2H3
InChIKeyXKAMBFPRDWLLBA-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.83
Rot. Bonds3

About 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane

2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane (PubChem CID 142498170) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
PubChem CID142498170
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
SMILESCC.Clc1nc(Nc2cn(-c3ccccc3)cn2)c2occc2n1
InChIInChI=1S/C15H10ClN5O.C2H6/c16-15-18-11-6-7-22-13(11)14(20-15)19-12-8-21(9-17-12)10-4-2-1-3-5-10;1-2/h1-9H,(H,18,19,20);1-2H3
InChIKeyXKAMBFPRDWLLBA-UHFFFAOYSA-N
XLogP4.83
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane?
The IUPAC name of 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane (CID 142498170) is 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane?
The canonical SMILES for 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane is CC.Clc1nc(Nc2cn(-c3ccccc3)cn2)c2occc2n1.
What is the InChIKey of 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane?
The InChIKey is XKAMBFPRDWLLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O.C2H6/c16-15-18-11-6-7-22-13(11)14(20-15)19-12-8-21(9-17-12)10-4-2-1-3-5-10;1-2/h1-9H,(H,18,19,20);1-2H3.
What are the key properties of 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane?
2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane has a molecular weight of 341.80 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 142498170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).