2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine

C14H13N3O — CID 90645477

IUPAC2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)c2cc(C)oc2n1
InChIInChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
InChIKeyHTNOBSCJRZGDSX-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.58
Rot. Bonds2

About 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine

2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine (PubChem CID 90645477) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine
PubChem CID90645477
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)c2cc(C)oc2n1
InChIInChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
InChIKeyHTNOBSCJRZGDSX-UHFFFAOYSA-N
XLogP3.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine (CID 90645477) is 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2ccccc2)c2cc(C)oc2n1.
What is the InChIKey of 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine?
The InChIKey is HTNOBSCJRZGDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine?
2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90645477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).