4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine

C19H26FN5O4S — CID 171617205

IUPAC4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
SMILESCOc1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1-c1cnc(OC(C)C)c(F)c1
InChIInChI=1S/C19H26FN5O4S/c1-12(2)29-18-15(20)9-13(10-21-18)17-16(28-3)11-22-19(24-17)23-14-5-7-25(8-6-14)30(4,26)27/h9-12,14H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyWWTNVLQZIANGAC-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.31
Rot. Bonds7

About 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine

4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 171617205) has the molecular formula C19H26FN5O4S and a molecular weight of 439.51 g/mol. Its IUPAC name is 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID171617205
Molecular FormulaC19H26FN5O4S
Molecular Weight439.51 g/mol
Exact Mass439.17
IUPAC Name4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
SMILESCOc1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1-c1cnc(OC(C)C)c(F)c1
InChIInChI=1S/C19H26FN5O4S/c1-12(2)29-18-15(20)9-13(10-21-18)17-16(28-3)11-22-19(24-17)23-14-5-7-25(8-6-14)30(4,26)27/h9-12,14H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyWWTNVLQZIANGAC-UHFFFAOYSA-N
XLogP2.31
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

4-[6-(dimethylamino)-5-fluoro-3-pyridinyl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 171617204
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-4-(2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 164588471
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-(3-methylbut-2-enyl)pyridin-2-one
CID 171483362
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492
3-(2,3-difluoro-6-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11568338
4-[1-(2-fluoro-4-methoxyphenyl)-2-methylimidazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 156638696
4-[2-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-5-yl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 172787334
4-(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 167193069
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 167193062
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine (CID 171617205) is 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine is COc1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1-c1cnc(OC(C)C)c(F)c1.
What is the InChIKey of 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is WWTNVLQZIANGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O4S/c1-12(2)29-18-15(20)9-13(10-21-18)17-16(28-3)11-22-19(24-17)23-14-5-7-25(8-6-14)30(4,26)27/h9-12,14H,5-8H2,1-4H3,(H,22,23,24).
What are the key properties of 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine?
4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 439.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-5-methoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 171617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).