2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide

C19H21FN6O3S2 — CID 145195215

IUPAC2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(C)S(=O)(=O)c1sccc1Nc1nc(Nc2ccc(NC(=O)CN)cc2)ncc1F
InChIInChI=1S/C19H21FN6O3S2/c1-11(2)31(28,29)18-15(7-8-30-18)25-17-14(20)10-22-19(26-17)24-13-5-3-12(4-6-13)23-16(27)9-21/h3-8,10-11H,9,21H2,1-2H3,(H,23,27)(H2,22,24,25,26)
InChIKeyUGIFRVRKJXATDE-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.24
Rot. Bonds8

About 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide

2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 145195215) has the molecular formula C19H21FN6O3S2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID145195215
Molecular FormulaC19H21FN6O3S2
Molecular Weight464.55 g/mol
Exact Mass464.11
IUPAC Name2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(C)S(=O)(=O)c1sccc1Nc1nc(Nc2ccc(NC(=O)CN)cc2)ncc1F
InChIInChI=1S/C19H21FN6O3S2/c1-11(2)31(28,29)18-15(7-8-30-18)25-17-14(20)10-22-19(26-17)24-13-5-3-12(4-6-13)23-16(27)9-21/h3-8,10-11H,9,21H2,1-2H3,(H,23,27)(H2,22,24,25,26)
InChIKeyUGIFRVRKJXATDE-UHFFFAOYSA-N
XLogP3.24
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidine-2,4-diamine
CID 145195348
N-[3-[[5-chloro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]-4-methylphenyl]-2-piperazin-1-ylacetamide
CID 145195287
N-[4-chloro-3-[[5-chloro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-2-[4-(dimethylamino)piperidin-1-yl]acetamide
CID 145195299
2-[4-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N-prop-2-enylacetamide
CID 68872226
N'-hydroxy-N-[4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]octanediamide
CID 164622765
2-[4-[[2-[4-(carboxymethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenoxy]acetic acid
CID 118729094
4-[[2-(4-carboxyanilino)-5-fluoropyrimidin-4-yl]amino]benzoic acid
CID 22060467
N-[4-[4-[[5-fluoro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]benzoyl]phenyl]hex-5-ynamide
CID 90667458
N-[4-[[5-chloro-4-[(2-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-2-yl]amino]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 145195331
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
CID 162674736
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide (CID 145195215) is 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide is CC(C)S(=O)(=O)c1sccc1Nc1nc(Nc2ccc(NC(=O)CN)cc2)ncc1F.
What is the InChIKey of 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is UGIFRVRKJXATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3S2/c1-11(2)31(28,29)18-15(7-8-30-18)25-17-14(20)10-22-19(26-17)24-13-5-3-12(4-6-13)23-16(27)9-21/h3-8,10-11H,9,21H2,1-2H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[5-fluoro-4-[(2-propan-2-ylsulfonylthiophen-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 145195215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).