N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine

C13H20F3N3O — CID 62292264

IUPACN-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1OCC(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-8(2)12-18-6-11(20-7-13(14,15)16)10(19-12)5-17-9(3)4/h6,8-9,17H,5,7H2,1-4H3
InChIKeyKXNVFRMGNGXIOZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.04
Rot. Bonds6

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

N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 62292264) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID62292264
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1OCC(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-8(2)12-18-6-11(20-7-13(14,15)16)10(19-12)5-17-9(3)4/h6,8-9,17H,5,7H2,1-4H3
InChIKeyKXNVFRMGNGXIOZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine (CID 62292264) is N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine is CC(C)NCc1nc(C(C)C)ncc1OCC(F)(F)F.
What is the InChIKey of N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is KXNVFRMGNGXIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-8(2)12-18-6-11(20-7-13(14,15)16)10(19-12)5-17-9(3)4/h6,8-9,17H,5,7H2,1-4H3.
What are the key properties of N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 291.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62292264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).