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

C10H14F3N3O — CID 83189766

IUPACN-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC(C)C(F)(F)F)nc1C
InChIInChI=1S/C10H14F3N3O/c1-6-8(4-14-3)5-15-9(16-6)17-7(2)10(11,12)13/h5,7,14H,4H2,1-3H3
InChIKeyKSQGYYPSGYCWQO-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.83
Rot. Bonds4

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

N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine (PubChem CID 83189766) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
PubChem CID83189766
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC(C)C(F)(F)F)nc1C
InChIInChI=1S/C10H14F3N3O/c1-6-8(4-14-3)5-15-9(16-6)17-7(2)10(11,12)13/h5,7,14H,4H2,1-3H3
InChIKeyKSQGYYPSGYCWQO-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine (CID 83189766) is N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OC(C)C(F)(F)F)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
The InChIKey is KSQGYYPSGYCWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6-8(4-14-3)5-15-9(16-6)17-7(2)10(11,12)13/h5,7,14H,4H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine has a molecular weight of 249.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).