4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

C17H21FN6OS — CID 146358785

IUPAC4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCSNC1(c2cc(-c3cnc(N)cc3F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H21FN6OS/c1-26-23-17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)24-4-6-25-7-5-24/h8-10,23H,2-7H2,1H3,(H2,19,20)
InChIKeyYSQYGWBGMQNWHY-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.95
Rot. Bonds5

About 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (PubChem CID 146358785) has the molecular formula C17H21FN6OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
PubChem CID146358785
Molecular FormulaC17H21FN6OS
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCSNC1(c2cc(-c3cnc(N)cc3F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H21FN6OS/c1-26-23-17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)24-4-6-25-7-5-24/h8-10,23H,2-7H2,1H3,(H2,19,20)
InChIKeyYSQYGWBGMQNWHY-UHFFFAOYSA-N
XLogP1.95
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane
CID 145100381
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507835
N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine
CID 145100387
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507894
5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507849
5-[6-(iodomethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
CID 89345233
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (CID 146358785) is 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is CSNC1(c2cc(-c3cnc(N)cc3F)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The InChIKey is YSQYGWBGMQNWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6OS/c1-26-23-17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)24-4-6-25-7-5-24/h8-10,23H,2-7H2,1H3,(H2,19,20).
What are the key properties of 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 146358785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).