4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H18F3N3O — CID 103477262

IUPAC4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)c1nc(COCC(F)(F)F)nc2c1CNCC2
InChIInChI=1S/C13H18F3N3O/c1-8(2)12-9-5-17-4-3-10(9)18-11(19-12)6-20-7-13(14,15)16/h8,17H,3-7H2,1-2H3
InChIKeyKSIPNORAHLLXTF-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.32
Rot. Bonds4

About 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 103477262) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID103477262
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)c1nc(COCC(F)(F)F)nc2c1CNCC2
InChIInChI=1S/C13H18F3N3O/c1-8(2)12-9-5-17-4-3-10(9)18-11(19-12)6-20-7-13(14,15)16/h8,17H,3-7H2,1-2H3
InChIKeyKSIPNORAHLLXTF-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(ethoxymethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738982
4-cyclobutyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103477264
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741391
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 103477309
2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103476164
2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386
5-bromo-N-ethyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476295
2-(1-ethoxybutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738899
2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929710
2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738924
N,N-dimethyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]ethanamine
CID 114737943

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 103477262) is 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(C)c1nc(COCC(F)(F)F)nc2c1CNCC2.
What is the InChIKey of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is KSIPNORAHLLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(2)12-9-5-17-4-3-10(9)18-11(19-12)6-20-7-13(14,15)16/h8,17H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 289.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 103477262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).