N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C12H17F3N4 — CID 81223294

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)N(CC(F)(F)F)c1ncnc2c1CNCC2
InChIInChI=1S/C12H17F3N4/c1-8(2)19(6-12(13,14)15)11-9-5-16-4-3-10(9)17-7-18-11/h7-8,16H,3-6H2,1-2H3
InChIKeySAWALBIKJUSRLU-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.90
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 81223294) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID81223294
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)N(CC(F)(F)F)c1ncnc2c1CNCC2
InChIInChI=1S/C12H17F3N4/c1-8(2)19(6-12(13,14)15)11-9-5-16-4-3-10(9)17-7-18-11/h7-8,16H,3-6H2,1-2H3
InChIKeySAWALBIKJUSRLU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 81223294) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CC(C)N(CC(F)(F)F)c1ncnc2c1CNCC2.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is SAWALBIKJUSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-8(2)19(6-12(13,14)15)11-9-5-16-4-3-10(9)17-7-18-11/h7-8,16H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 81223294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).