N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C10H14F3N3O — CID 80859269

IUPACN-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-8(14-2)15-6-16-9(7)17-5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyOIDBWWRJJOYDSG-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80859269) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80859269
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-8(14-2)15-6-16-9(7)17-5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyOIDBWWRJJOYDSG-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80859269) is N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCc1c(NC)ncnc1OCC(F)(F)F.
What is the InChIKey of N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is OIDBWWRJJOYDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-7-8(14-2)15-6-16-9(7)17-5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).