N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine

C17H20F3N5O — CID 86900427

IUPACN,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESCN(C)CC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCO1
InChIInChI=1S/C17H20F3N5O/c1-24(2)10-12-11-25(7-8-26-12)15-9-14(17(18,19)20)22-16(23-15)13-5-3-4-6-21-13/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyDSKVXTMCANUHQV-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.32
Rot. Bonds4

About N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine

N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine (PubChem CID 86900427) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
PubChem CID86900427
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESCN(C)CC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCO1
InChIInChI=1S/C17H20F3N5O/c1-24(2)10-12-11-25(7-8-26-12)15-9-14(17(18,19)20)22-16(23-15)13-5-3-4-6-21-13/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyDSKVXTMCANUHQV-UHFFFAOYSA-N
XLogP2.32
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine (CID 86900427) is N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine is CN(C)CC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is DSKVXTMCANUHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-24(2)10-12-11-25(7-8-26-12)15-9-14(17(18,19)20)22-16(23-15)13-5-3-4-6-21-13/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 367.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 86900427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).