2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine

C19H31F3N4O — CID 86818061

IUPAC2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine
SMILESCOCc1cc(NC(C)C2CCN(CC(F)(F)F)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H31F3N4O/c1-13(14-6-8-26(9-7-14)12-19(20,21)22)23-16-10-15(11-27-5)24-17(25-16)18(2,3)4/h10,13-14H,6-9,11-12H2,1-5H3,(H,23,24,25)
InChIKeyUIZRNSCJTSXGNF-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.00
Rot. Bonds6

About 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine (PubChem CID 86818061) has the molecular formula C19H31F3N4O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine
PubChem CID86818061
Molecular FormulaC19H31F3N4O
Molecular Weight388.48 g/mol
Exact Mass388.24
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine
SMILESCOCc1cc(NC(C)C2CCN(CC(F)(F)F)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H31F3N4O/c1-13(14-6-8-26(9-7-14)12-19(20,21)22)23-16-10-15(11-27-5)24-17(25-16)18(2,3)4/h10,13-14H,6-9,11-12H2,1-5H3,(H,23,24,25)
InChIKeyUIZRNSCJTSXGNF-UHFFFAOYSA-N
XLogP4.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine (CID 86818061) is 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine is COCc1cc(NC(C)C2CCN(CC(F)(F)F)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine?
The InChIKey is UIZRNSCJTSXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N4O/c1-13(14-6-8-26(9-7-14)12-19(20,21)22)23-16-10-15(11-27-5)24-17(25-16)18(2,3)4/h10,13-14H,6-9,11-12H2,1-5H3,(H,23,24,25).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine has a molecular weight of 388.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 86818061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).