(4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one

C20H25FN4O — CID 152836794

IUPAC(4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(C2CN(c3nc(N(C)C)ncc3F)C2)cc1
InChIInChI=1S/C20H25FN4O/c1-13(9-14(2)26)15-5-7-16(8-6-15)17-11-25(12-17)19-18(21)10-22-20(23-19)24(3)4/h5-8,10,13,17H,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeySXRNZOJXIRPGCF-CYBMUJFWSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds6

About (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one

(4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one (PubChem CID 152836794) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one
PubChem CID152836794
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name(4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(C2CN(c3nc(N(C)C)ncc3F)C2)cc1
InChIInChI=1S/C20H25FN4O/c1-13(9-14(2)26)15-5-7-16(8-6-15)17-11-25(12-17)19-18(21)10-22-20(23-19)24(3)4/h5-8,10,13,17H,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeySXRNZOJXIRPGCF-CYBMUJFWSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one (CID 152836794) is (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one is CC(=O)C[C@@H](C)c1ccc(C2CN(c3nc(N(C)C)ncc3F)C2)cc1.
What is the InChIKey of (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one?
The InChIKey is SXRNZOJXIRPGCF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-13(9-14(2)26)15-5-7-16(8-6-15)17-11-25(12-17)19-18(21)10-22-20(23-19)24(3)4/h5-8,10,13,17H,9,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one?
(4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one has a molecular weight of 356.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[1-[2-(dimethylamino)-5-fluoropyrimidin-4-yl]azetidin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 152836794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).