(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

C20H24FN5O — CID 57497028

IUPAC(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cn1
InChIInChI=1S/C20H24FN5O/c1-12-6-7-14(11-23-12)24-13-8-9-16(21)15(10-13)20(4)19(2,3)17(27)26(5)18(22)25-20/h6-11,24H,1-5H3,(H2,22,25)/t20-/m1/s1
InChIKeyJMTUUCQFHFIXQP-HXUWFJFHSA-N
MW369.44 g/mol
LogP3.30
Rot. Bonds3

About (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 57497028) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID57497028
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cn1
InChIInChI=1S/C20H24FN5O/c1-12-6-7-14(11-23-12)24-13-8-9-16(21)15(10-13)20(4)19(2,3)17(27)26(5)18(22)25-20/h6-11,24H,1-5H3,(H2,22,25)/t20-/m1/s1
InChIKeyJMTUUCQFHFIXQP-HXUWFJFHSA-N
XLogP3.30
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 57497028) is (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is Cc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)cn1.
What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is JMTUUCQFHFIXQP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-12-6-7-14(11-23-12)24-13-8-9-16(21)15(10-13)20(4)19(2,3)17(27)26(5)18(22)25-20/h6-11,24H,1-5H3,(H2,22,25)/t20-/m1/s1.
What are the key properties of (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 369.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 57497028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).