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

C13H20F3N3O — CID 83189234

IUPAC2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1nc(OC(C)C(F)(F)F)ncc1CNCC(C)C
InChIInChI=1S/C13H20F3N3O/c1-8(2)5-17-6-11-7-18-12(19-9(11)3)20-10(4)13(14,15)16/h7-8,10,17H,5-6H2,1-4H3
InChIKeyGESOTYCCCGFARZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.86
Rot. Bonds6

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

2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83189234) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83189234
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-1-amine
SMILESCc1nc(OC(C)C(F)(F)F)ncc1CNCC(C)C
InChIInChI=1S/C13H20F3N3O/c1-8(2)5-17-6-11-7-18-12(19-9(11)3)20-10(4)13(14,15)16/h7-8,10,17H,5-6H2,1-4H3
InChIKeyGESOTYCCCGFARZ-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.86
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-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine (CID 83189234) is 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine is Cc1nc(OC(C)C(F)(F)F)ncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is GESOTYCCCGFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-8(2)5-17-6-11-7-18-12(19-9(11)3)20-10(4)13(14,15)16/h7-8,10,17H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 2.86, 6 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-1-amine is sourced from PubChem (CID 83189234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).