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

C18H17ClF3N5O2 — CID 175444723

IUPAC2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
SMILESCOc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CNc1nc(Cl)ncc1OC
InChIInChI=1S/C18H17ClF3N5O2/c1-27-9-14(18(20,21)22)25-16(27)10-4-5-11(12(6-10)28-2)7-23-15-13(29-3)8-24-17(19)26-15/h4-6,8-9H,7H2,1-3H3,(H,23,24,26)
InChIKeyMLVSBTNQHIYZAB-UHFFFAOYSA-N
MW427.81 g/mol
LogP4.18
Rot. Bonds6

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

2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine (PubChem CID 175444723) has the molecular formula C18H17ClF3N5O2 and a molecular weight of 427.81 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
PubChem CID175444723
Molecular FormulaC18H17ClF3N5O2
Molecular Weight427.81 g/mol
Exact Mass427.10
IUPAC Name2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
SMILESCOc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CNc1nc(Cl)ncc1OC
InChIInChI=1S/C18H17ClF3N5O2/c1-27-9-14(18(20,21)22)25-16(27)10-4-5-11(12(6-10)28-2)7-23-15-13(29-3)8-24-17(19)26-15/h4-6,8-9H,7H2,1-3H3,(H,23,24,26)
InChIKeyMLVSBTNQHIYZAB-UHFFFAOYSA-N
XLogP4.18
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 54.18
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-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine (CID 175444723) is 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine is COc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CNc1nc(Cl)ncc1OC.
What is the InChIKey of 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
The InChIKey is MLVSBTNQHIYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O2/c1-27-9-14(18(20,21)22)25-16(27)10-4-5-11(12(6-10)28-2)7-23-15-13(29-3)8-24-17(19)26-15/h4-6,8-9H,7H2,1-3H3,(H,23,24,26).
What are the key properties of 2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine has a molecular weight of 427.81 g/mol, XLogP of 4.18, 6 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-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 175444723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).