N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C16H21F3N6O — CID 133365112

IUPACN,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCOC(C)(c3cnn(C)c3)C2)n1
InChIInChI=1S/C16H21F3N6O/c1-15(11-8-20-24(4)9-11)10-25(5-6-26-15)14-21-12(16(17,18)19)7-13(22-14)23(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyWPDPPAUENPDVHW-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.05
Rot. Bonds3

About N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133365112) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133365112
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC NameN,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCOC(C)(c3cnn(C)c3)C2)n1
InChIInChI=1S/C16H21F3N6O/c1-15(11-8-20-24(4)9-11)10-25(5-6-26-15)14-21-12(16(17,18)19)7-13(22-14)23(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyWPDPPAUENPDVHW-UHFFFAOYSA-N
XLogP2.05
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine 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,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 133365112) is N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CCOC(C)(c3cnn(C)c3)C2)n1.
What is the InChIKey of N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WPDPPAUENPDVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-15(11-8-20-24(4)9-11)10-25(5-6-26-15)14-21-12(16(17,18)19)7-13(22-14)23(2)3/h7-9H,5-6,10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 370.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133365112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).