5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine

C17H22FN7O — CID 91771253

IUPAC5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CC(c3cc(N4CCOCC4)ncn3)C2)ncc1F
InChIInChI=1S/C17H22FN7O/c1-19-16-13(18)9-20-17(24-16)23-12-6-11(7-12)14-8-15(22-10-21-14)25-2-4-26-5-3-25/h8-12H,2-7H2,1H3,(H2,19,20,23,24)
InChIKeyYAOYKOCYKNSTQX-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.64
Rot. Bonds5

About 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine (PubChem CID 91771253) has the molecular formula C17H22FN7O and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine
PubChem CID91771253
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC Name5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CC(c3cc(N4CCOCC4)ncn3)C2)ncc1F
InChIInChI=1S/C17H22FN7O/c1-19-16-13(18)9-20-17(24-16)23-12-6-11(7-12)14-8-15(22-10-21-14)25-2-4-26-5-3-25/h8-12H,2-7H2,1H3,(H2,19,20,23,24)
InChIKeyYAOYKOCYKNSTQX-UHFFFAOYSA-N
XLogP1.64
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine (CID 91771253) is 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine is CNc1nc(NC2CC(c3cc(N4CCOCC4)ncn3)C2)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine?
The InChIKey is YAOYKOCYKNSTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN7O/c1-19-16-13(18)9-20-17(24-16)23-12-6-11(7-12)14-8-15(22-10-21-14)25-2-4-26-5-3-25/h8-12H,2-7H2,1H3,(H2,19,20,23,24).
What are the key properties of 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine has a molecular weight of 359.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91771253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).