N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine

C12H17F3N4 — CID 114737943

IUPACN,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine
SMILESCN(C)CCc1nc2c(c(C(F)(F)F)n1)CNCC2
InChIInChI=1S/C12H17F3N4/c1-19(2)6-4-10-17-9-3-5-16-7-8(9)11(18-10)12(13,14)15/h16H,3-7H2,1-2H3
InChIKeyULAUGNYLKPIJRC-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.25
Rot. Bonds3

About N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine

N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine (PubChem CID 114737943) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine
PubChem CID114737943
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine
SMILESCN(C)CCc1nc2c(c(C(F)(F)F)n1)CNCC2
InChIInChI=1S/C12H17F3N4/c1-19(2)6-4-10-17-9-3-5-16-7-8(9)11(18-10)12(13,14)15/h16H,3-7H2,1-2H3
InChIKeyULAUGNYLKPIJRC-UHFFFAOYSA-N
XLogP1.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine (CID 114737943) is N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine is CN(C)CCc1nc2c(c(C(F)(F)F)n1)CNCC2.
What is the InChIKey of N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine?
The InChIKey is ULAUGNYLKPIJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-19(2)6-4-10-17-9-3-5-16-7-8(9)11(18-10)12(13,14)15/h16H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine?
N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine has a molecular weight of 274.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 114737943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).