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

C12H18F3N3O — CID 83189839

IUPACN-[[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
InChIInChI=1S/C12H18F3N3O/c1-7(2)16-5-10-6-17-11(18-8(10)3)19-9(4)12(13,14)15/h6-7,9,16H,5H2,1-4H3
InChIKeyYGOZXMVPDRLTPB-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.61
Rot. Bonds5

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

N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189839) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189839
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-[[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
InChIInChI=1S/C12H18F3N3O/c1-7(2)16-5-10-6-17-11(18-8(10)3)19-9(4)12(13,14)15/h6-7,9,16H,5H2,1-4H3
InChIKeyYGOZXMVPDRLTPB-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 83189839) is N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 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.
What is the InChIKey of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is YGOZXMVPDRLTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-7(2)16-5-10-6-17-11(18-8(10)3)19-9(4)12(13,14)15/h6-7,9,16H,5H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).