2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine

C16H20ClF3N6O — CID 175444724

IUPAC2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1NCC1CCN(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C16H20ClF3N6O/c1-25-9-12(16(18,19)20)23-15(25)26-5-3-10(4-6-26)7-21-13-11(27-2)8-22-14(17)24-13/h8-10H,3-7H2,1-2H3,(H,21,22,24)
InChIKeyWAEIWWUJGFBBLG-UHFFFAOYSA-N
MW404.82 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine

2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 175444724) has the molecular formula C16H20ClF3N6O and a molecular weight of 404.82 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID175444724
Molecular FormulaC16H20ClF3N6O
Molecular Weight404.82 g/mol
Exact Mass404.13
IUPAC Name2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1NCC1CCN(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C16H20ClF3N6O/c1-25-9-12(16(18,19)20)23-15(25)26-5-3-10(4-6-26)7-21-13-11(27-2)8-22-14(17)24-13/h8-10H,3-7H2,1-2H3,(H,21,22,24)
InChIKeyWAEIWWUJGFBBLG-UHFFFAOYSA-N
XLogP3.22
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine (CID 175444724) is 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine is COc1cnc(Cl)nc1NCC1CCN(c2nc(C(F)(F)F)cn2C)CC1.
What is the InChIKey of 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is WAEIWWUJGFBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N6O/c1-25-9-12(16(18,19)20)23-15(25)26-5-3-10(4-6-26)7-21-13-11(27-2)8-22-14(17)24-13/h8-10H,3-7H2,1-2H3,(H,21,22,24).
What are the key properties of 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine?
2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 404.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 175444724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).