4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C13H19F3N4O — CID 115633920

IUPAC4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O/c1-9-5-11(21-2)19-12(18-9)17-6-10-3-4-20(7-10)8-13(14,15)16/h5,10H,3-4,6-8H2,1-2H3,(H,17,18,19)
InChIKeyQEAQUUUTKDREHS-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.09
Rot. Bonds5

About 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 115633920) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID115633920
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O/c1-9-5-11(21-2)19-12(18-9)17-6-10-3-4-20(7-10)8-13(14,15)16/h5,10H,3-4,6-8H2,1-2H3,(H,17,18,19)
InChIKeyQEAQUUUTKDREHS-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 115633920) is 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is COc1cc(C)nc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is QEAQUUUTKDREHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9-5-11(21-2)19-12(18-9)17-6-10-3-4-20(7-10)8-13(14,15)16/h5,10H,3-4,6-8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 115633920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).