N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide

C20H23FN4O2S — CID 59570591

IUPACN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)s1
InChIInChI=1S/C20H23FN4O2S/c1-11-6-9-15(28-11)16(26)23-12-7-8-14(21)13(10-12)20(4)19(2,3)17(27)25(5)18(22)24-20/h6-10H,1-5H3,(H2,22,24)(H,23,26)/t20-/m1/s1
InChIKeyFKLXHGOQZPTWRO-HXUWFJFHSA-N
MW402.50 g/mol
LogP3.48
Rot. Bonds3

About N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide

N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide (PubChem CID 59570591) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide
PubChem CID59570591
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC NameN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)s1
InChIInChI=1S/C20H23FN4O2S/c1-11-6-9-15(28-11)16(26)23-12-7-8-14(21)13(10-12)20(4)19(2,3)17(27)25(5)18(22)24-20/h6-10H,1-5H3,(H2,22,24)(H,23,26)/t20-/m1/s1
InChIKeyFKLXHGOQZPTWRO-HXUWFJFHSA-N
XLogP3.48
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide (CID 59570591) is N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)s1.
What is the InChIKey of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is FKLXHGOQZPTWRO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-11-6-9-15(28-11)16(26)23-12-7-8-14(21)13(10-12)20(4)19(2,3)17(27)25(5)18(22)24-20/h6-10H,1-5H3,(H2,22,24)(H,23,26)/t20-/m1/s1.
What are the key properties of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide?
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 59570591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).