5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine

C16H19F4N5S — CID 163344230

IUPAC5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)c1F
InChIInChI=1S/C16H19F4N5S/c1-10-13(17)14(22-9-21-10)24(2)7-11-3-5-25(6-4-11)15-23-12(8-26-15)16(18,19)20/h8-9,11H,3-7H2,1-2H3
InChIKeyGXXYHHYDCZHLCZ-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.75
Rot. Bonds4

About 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine

5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 163344230) has the molecular formula C16H19F4N5S and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID163344230
Molecular FormulaC16H19F4N5S
Molecular Weight389.42 g/mol
Exact Mass389.13
IUPAC Name5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)c1F
InChIInChI=1S/C16H19F4N5S/c1-10-13(17)14(22-9-21-10)24(2)7-11-3-5-25(6-4-11)15-23-12(8-26-15)16(18,19)20/h8-9,11H,3-7H2,1-2H3
InChIKeyGXXYHHYDCZHLCZ-UHFFFAOYSA-N
XLogP3.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine (CID 163344230) is 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine is Cc1ncnc(N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is GXXYHHYDCZHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N5S/c1-10-13(17)14(22-9-21-10)24(2)7-11-3-5-25(6-4-11)15-23-12(8-26-15)16(18,19)20/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 389.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 163344230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).