N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine

C19H16F2N6OS — CID 175266551

IUPACN-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESFc1cc(-n2ccc3cnc(Nc4nccs4)nc32)cc(F)c1C1CNCCO1
InChIInChI=1S/C19H16F2N6OS/c20-13-7-12(8-14(21)16(13)15-10-22-2-5-28-15)27-4-1-11-9-24-18(25-17(11)27)26-19-23-3-6-29-19/h1,3-4,6-9,15,22H,2,5,10H2,(H,23,24,25,26)
InChIKeyRYGIQAAZLQPOIO-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.56
Rot. Bonds4

About N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine

N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 175266551) has the molecular formula C19H16F2N6OS and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID175266551
Molecular FormulaC19H16F2N6OS
Molecular Weight414.44 g/mol
Exact Mass414.11
IUPAC NameN-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESFc1cc(-n2ccc3cnc(Nc4nccs4)nc32)cc(F)c1C1CNCCO1
InChIInChI=1S/C19H16F2N6OS/c20-13-7-12(8-14(21)16(13)15-10-22-2-5-28-15)27-4-1-11-9-24-18(25-17(11)27)26-19-23-3-6-29-19/h1,3-4,6-9,15,22H,2,5,10H2,(H,23,24,25,26)
InChIKeyRYGIQAAZLQPOIO-UHFFFAOYSA-N
XLogP3.56
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-(2,6-difluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175011011
7-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-3,5-difluorophenyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 68991375
7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 70985874
4-[[7-[4-[dihydroxy(thiomorpholin-4-yl)methyl]-3,5-difluorophenyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 68990811
5-bromo-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-bromo-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 159579363
7-(4-amino-3,5-difluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 89160292
N-[5-chloro-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-7-[3,5-difluoro-4-(thiomorpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 143843251
2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)morpholine
CID 105477187
N-[3-[2-(3,5-difluoro-4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-2-methylpropane-2-sulfonamide
CID 153465900
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)morpholine
CID 117354578
N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 155982517
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 175266551) is N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine is Fc1cc(-n2ccc3cnc(Nc4nccs4)nc32)cc(F)c1C1CNCCO1.
What is the InChIKey of N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is RYGIQAAZLQPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6OS/c20-13-7-12(8-14(21)16(13)15-10-22-2-5-28-15)27-4-1-11-9-24-18(25-17(11)27)26-19-23-3-6-29-19/h1,3-4,6-9,15,22H,2,5,10H2,(H,23,24,25,26).
What are the key properties of N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine?
N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 414.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-difluoro-4-morpholin-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175266551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).