5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C11H13FN4O2 — CID 18507317

IUPAC5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc(-c2ccco2)c1F
InChIInChI=1S/C11H13FN4O2/c1-17-6-4-14-10-8(12)9(15-11(13)16-10)7-3-2-5-18-7/h2-3,5H,4,6H2,1H3,(H3,13,14,15,16)
InChIKeyRWWKLPCJHNPDPP-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.52
Rot. Bonds5

About 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 18507317) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID18507317
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc(-c2ccco2)c1F
InChIInChI=1S/C11H13FN4O2/c1-17-6-4-14-10-8(12)9(15-11(13)16-10)7-3-2-5-18-7/h2-3,5H,4,6H2,1H3,(H3,13,14,15,16)
InChIKeyRWWKLPCJHNPDPP-UHFFFAOYSA-N
XLogP1.52
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 18507317) is 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1nc(N)nc(-c2ccco2)c1F.
What is the InChIKey of 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is RWWKLPCJHNPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2/c1-17-6-4-14-10-8(12)9(15-11(13)16-10)7-3-2-5-18-7/h2-3,5H,4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 252.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 18507317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).