5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

C20H26FN7S — CID 87535344

IUPAC5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Nc2nc(Nc3nc4cccnc4s3)ncc2F)CC1(C)C
InChIInChI=1S/C20H26FN7S/c1-19(2)9-12(10-20(3,4)28(19)5)24-15-13(21)11-23-17(26-15)27-18-25-14-7-6-8-22-16(14)29-18/h6-8,11-12H,9-10H2,1-5H3,(H2,23,24,25,26,27)
InChIKeyJDMFISAQWCMQRU-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.43
Rot. Bonds4

About 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (PubChem CID 87535344) has the molecular formula C20H26FN7S and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
PubChem CID87535344
Molecular FormulaC20H26FN7S
Molecular Weight415.54 g/mol
Exact Mass415.20
IUPAC Name5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Nc2nc(Nc3nc4cccnc4s3)ncc2F)CC1(C)C
InChIInChI=1S/C20H26FN7S/c1-19(2)9-12(10-20(3,4)28(19)5)24-15-13(21)11-23-17(26-15)27-18-25-14-7-6-8-22-16(14)29-18/h6-8,11-12H,9-10H2,1-5H3,(H2,23,24,25,26,27)
InChIKeyJDMFISAQWCMQRU-UHFFFAOYSA-N
XLogP4.43
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-fluoro-2-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665924
5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine
CID 25175660
5-fluoro-2-N-(4-fluoro-3-pyridin-4-ylphenyl)-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664781
3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 68665074
5-fluoro-2-N-[4-(furan-3-yl)phenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664885
5-fluoro-2-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665102
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665836
2-N-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 25176279
2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665935
2-N-[3,5-bis(2-methoxyethoxy)phenyl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664714
2-chloro-4-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 68666219
2-N-[3-(1-benzothiophen-2-yl)-4-(trifluoromethoxy)phenyl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664952

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (CID 87535344) is 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is CN1C(C)(C)CC(Nc2nc(Nc3nc4cccnc4s3)ncc2F)CC1(C)C.
What is the InChIKey of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The InChIKey is JDMFISAQWCMQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7S/c1-19(2)9-12(10-20(3,4)28(19)5)24-15-13(21)11-23-17(26-15)27-18-25-14-7-6-8-22-16(14)29-18/h6-8,11-12H,9-10H2,1-5H3,(H2,23,24,25,26,27).
What are the key properties of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine has a molecular weight of 415.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 87535344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).