5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

C11H13FN4O — CID 80795159

IUPAC5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2ccoc2)n1
InChIInChI=1S/C11H13FN4O/c1-13-11-14-5-9(12)10(15-11)16(2)6-8-3-4-17-7-8/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyRETPWRSMWDGOHK-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.89
Rot. Bonds4

About 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80795159) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80795159
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2ccoc2)n1
InChIInChI=1S/C11H13FN4O/c1-13-11-14-5-9(12)10(15-11)16(2)6-8-3-4-17-7-8/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyRETPWRSMWDGOHK-UHFFFAOYSA-N
XLogP1.89
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80795159) is 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)Cc2ccoc2)n1.
What is the InChIKey of 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is RETPWRSMWDGOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-13-11-14-5-9(12)10(15-11)16(2)6-8-3-4-17-7-8/h3-5,7H,6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 236.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80795159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).