2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile

C20H26FN5O — CID 56649992

IUPAC2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC3CCCC3C#N)ccc2F)N=C1N
InChIInChI=1S/C20H26FN5O/c1-19(2)17(27)26(4)18(23)25-20(19,3)14-10-13(8-9-15(14)21)24-16-7-5-6-12(16)11-22/h8-10,12,16,24H,5-7H2,1-4H3,(H2,23,25)/t12?,16?,20-/m1/s1
InChIKeyNWIKYHDOXQYHFA-QRGKXYNMSA-N
MW371.46 g/mol
LogP2.96
Rot. Bonds3

About 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile

2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile (PubChem CID 56649992) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile
PubChem CID56649992
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC3CCCC3C#N)ccc2F)N=C1N
InChIInChI=1S/C20H26FN5O/c1-19(2)17(27)26(4)18(23)25-20(19,3)14-10-13(8-9-15(14)21)24-16-7-5-6-12(16)11-22/h8-10,12,16,24H,5-7H2,1-4H3,(H2,23,25)/t12?,16?,20-/m1/s1
InChIKeyNWIKYHDOXQYHFA-QRGKXYNMSA-N
XLogP2.96
TPSA94.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile 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 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile (CID 56649992) is 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile is CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC3CCCC3C#N)ccc2F)N=C1N.
What is the InChIKey of 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile?
The InChIKey is NWIKYHDOXQYHFA-QRGKXYNMSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-19(2)17(27)26(4)18(23)25-20(19,3)14-10-13(8-9-15(14)21)24-16-7-5-6-12(16)11-22/h8-10,12,16,24H,5-7H2,1-4H3,(H2,23,25)/t12?,16?,20-/m1/s1.
What are the key properties of 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile?
2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile has a molecular weight of 371.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 56649992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).