4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine

C16H14ClN3O — CID 16730554

IUPAC4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(CCc2cccc(-c3ccco3)c2)n1
InChIInChI=1S/C16H14ClN3O/c17-15-10-13(19-16(18)20-15)7-6-11-3-1-4-12(9-11)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H2,18,19,20)
InChIKeyJSSUYSWUQWCDFU-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.76
Rot. Bonds4

About 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine

4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine (PubChem CID 16730554) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
PubChem CID16730554
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(CCc2cccc(-c3ccco3)c2)n1
InChIInChI=1S/C16H14ClN3O/c17-15-10-13(19-16(18)20-15)7-6-11-3-1-4-12(9-11)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H2,18,19,20)
InChIKeyJSSUYSWUQWCDFU-UHFFFAOYSA-N
XLogP3.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine (CID 16730554) is 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine is Nc1nc(Cl)cc(CCc2cccc(-c3ccco3)c2)n1.
What is the InChIKey of 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
The InChIKey is JSSUYSWUQWCDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-15-10-13(19-16(18)20-15)7-6-11-3-1-4-12(9-11)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H2,18,19,20).
What are the key properties of 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine has a molecular weight of 299.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 16730554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).