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

C17H26FN7S2 — CID 68665924

IUPAC5-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
SMILESCSc1nnc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)s1
InChIInChI=1S/C17H26FN7S2/c1-16(2)7-10(8-17(3,4)25(16)5)20-12-11(18)9-19-13(21-12)22-14-23-24-15(26-6)27-14/h9-10H,7-8H2,1-6H3,(H2,19,20,21,22,23)
InChIKeyHBFHLWVRWZMMTI-UHFFFAOYSA-N
MW411.58 g/mol
LogP4.00
Rot. Bonds5

About 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

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 (PubChem CID 68665924) has the molecular formula C17H26FN7S2 and a molecular weight of 411.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID68665924
Molecular FormulaC17H26FN7S2
Molecular Weight411.58 g/mol
Exact Mass411.17
IUPAC Name5-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
SMILESCSc1nnc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)s1
InChIInChI=1S/C17H26FN7S2/c1-16(2)7-10(8-17(3,4)25(16)5)20-12-11(18)9-19-13(21-12)22-14-23-24-15(26-6)27-14/h9-10H,7-8H2,1-6H3,(H2,19,20,21,22,23)
InChIKeyHBFHLWVRWZMMTI-UHFFFAOYSA-N
XLogP4.00
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 68665074
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-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665794
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
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
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
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-chloro-4-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 68666219
5-fluoro-2-N-[4-(furan-3-yl)-3-(trifluoromethyl)phenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665778
1-[3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-methyltetrazol-5-one
CID 53237353

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CSc1nnc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)s1.
What is the InChIKey of 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?
The InChIKey is HBFHLWVRWZMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN7S2/c1-16(2)7-10(8-17(3,4)25(16)5)20-12-11(18)9-19-13(21-12)22-14-23-24-15(26-6)27-14/h9-10H,7-8H2,1-6H3,(H2,19,20,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 411.58 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68665924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).