4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine

C18H19FN4O2 — CID 67130029

IUPAC4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1F
InChIInChI=1S/C18H19FN4O2/c1-10(2)25-15-6-5-12(9-13(15)19)21-18-22-14-7-8-24-16(14)17(23-18)20-11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23)
InChIKeyGEQYCKYCPNLUFX-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.47
Rot. Bonds6

About 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 67130029) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID67130029
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1F
InChIInChI=1S/C18H19FN4O2/c1-10(2)25-15-6-5-12(9-13(15)19)21-18-22-14-7-8-24-16(14)17(23-18)20-11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23)
InChIKeyGEQYCKYCPNLUFX-UHFFFAOYSA-N
XLogP4.47
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine (CID 67130029) is 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1F.
What is the InChIKey of 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is GEQYCKYCPNLUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-10(2)25-15-6-5-12(9-13(15)19)21-18-22-14-7-8-24-16(14)17(23-18)20-11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 342.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67130029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).