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

C18H23FN6O — CID 57497053

IUPAC(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3ccnn3C)ccc2F)N=C1N
InChIInChI=1S/C18H23FN6O/c1-17(2)15(26)24(4)16(20)23-18(17,3)12-10-11(6-7-13(12)19)22-14-8-9-21-25(14)5/h6-10,22H,1-5H3,(H2,20,23)/t18-/m1/s1
InChIKeySUGMNGJDJFEOJZ-GOSISDBHSA-N
MW358.42 g/mol
LogP2.33
Rot. Bonds3

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

(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 57497053) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID57497053
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3ccnn3C)ccc2F)N=C1N
InChIInChI=1S/C18H23FN6O/c1-17(2)15(26)24(4)16(20)23-18(17,3)12-10-11(6-7-13(12)19)22-14-8-9-21-25(14)5/h6-10,22H,1-5H3,(H2,20,23)/t18-/m1/s1
InChIKeySUGMNGJDJFEOJZ-GOSISDBHSA-N
XLogP2.33
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 135566411
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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 57497053) is (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3ccnn3C)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is SUGMNGJDJFEOJZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-17(2)15(26)24(4)16(20)23-18(17,3)12-10-11(6-7-13(12)19)22-14-8-9-21-25(14)5/h6-10,22H,1-5H3,(H2,20,23)/t18-/m1/s1.
What are the key properties of (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 358.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 57497053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).