2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine

C13H20F3N3O — CID 83189533

IUPAC2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(OC(C)C(F)(F)F)ncc1CNC(C)(C)C
InChIInChI=1S/C13H20F3N3O/c1-8-10(7-18-12(3,4)5)6-17-11(19-8)20-9(2)13(14,15)16/h6,9,18H,7H2,1-5H3
InChIKeyBWWVVGNXBQGUSG-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.00
Rot. Bonds4

About 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189533) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189533
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(OC(C)C(F)(F)F)ncc1CNC(C)(C)C
InChIInChI=1S/C13H20F3N3O/c1-8-10(7-18-12(3,4)5)6-17-11(19-8)20-9(2)13(14,15)16/h6,9,18H,7H2,1-5H3
InChIKeyBWWVVGNXBQGUSG-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 83189533) is 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(OC(C)C(F)(F)F)ncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is BWWVVGNXBQGUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-8-10(7-18-12(3,4)5)6-17-11(19-8)20-9(2)13(14,15)16/h6,9,18H,7H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 291.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).