5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C13H19FN6O — CID 137339154

IUPAC5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOCCn1cncc1CNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C13H19FN6O/c1-19(2)12-11(14)8-17-13(18-12)16-7-10-6-15-9-20(10)4-5-21-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyXADBYJZMQSDWAG-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.14
Rot. Bonds7

About 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 137339154) has the molecular formula C13H19FN6O and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID137339154
Molecular FormulaC13H19FN6O
Molecular Weight294.33 g/mol
Exact Mass294.16
IUPAC Name5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOCCn1cncc1CNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C13H19FN6O/c1-19(2)12-11(14)8-17-13(18-12)16-7-10-6-15-9-20(10)4-5-21-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyXADBYJZMQSDWAG-UHFFFAOYSA-N
XLogP1.14
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 137339154) is 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is COCCn1cncc1CNc1ncc(F)c(N(C)C)n1.
What is the InChIKey of 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is XADBYJZMQSDWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6O/c1-19(2)12-11(14)8-17-13(18-12)16-7-10-6-15-9-20(10)4-5-21-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 294.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 137339154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).