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

C19H27FN4O2 — CID 56654772

IUPAC(6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC3CCCOC3)ccc2F)N=C1N
InChIInChI=1S/C19H27FN4O2/c1-18(2)16(25)24(4)17(21)23-19(18,3)14-10-12(7-8-15(14)20)22-13-6-5-9-26-11-13/h7-8,10,13,22H,5-6,9,11H2,1-4H3,(H2,21,23)/t13?,19-/m1/s1
InChIKeyAVBBRSBAHHMGAM-GAGCMDECSA-N
MW362.45 g/mol
LogP2.44
Rot. Bonds3

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

(6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 56654772) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID56654772
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name(6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC3CCCOC3)ccc2F)N=C1N
InChIInChI=1S/C19H27FN4O2/c1-18(2)16(25)24(4)17(21)23-19(18,3)14-10-12(7-8-15(14)20)22-13-6-5-9-26-11-13/h7-8,10,13,22H,5-6,9,11H2,1-4H3,(H2,21,23)/t13?,19-/m1/s1
InChIKeyAVBBRSBAHHMGAM-GAGCMDECSA-N
XLogP2.44
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 56654772) is (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC3CCCOC3)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is AVBBRSBAHHMGAM-GAGCMDECSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-18(2)16(25)24(4)17(21)23-19(18,3)14-10-12(7-8-15(14)20)22-13-6-5-9-26-11-13/h7-8,10,13,22H,5-6,9,11H2,1-4H3,(H2,21,23)/t13?,19-/m1/s1.
What are the key properties of (6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[2-fluoro-5-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 362.45 g/mol, XLogP of 2.44, 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-(oxan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 56654772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).