4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C10H14F3N3O — CID 1383248

IUPAC4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCCCc1c(C)nc(N)nc1OCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-6(2)15-9(14)16-8(7)17-5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyODGBRFAHLLZIJL-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.26
Rot. Bonds4

About 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 1383248) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID1383248
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCCCc1c(C)nc(N)nc1OCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-6(2)15-9(14)16-8(7)17-5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyODGBRFAHLLZIJL-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
CID 122536483
5-Ethyl-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 755539
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
[2-(Acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
CID 56658402
2-Methyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidine
CID 22943717
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
6-(Bromomethyl)-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
CID 536282
4-Ethoxy-6-ethylpyrimidin-2-amine
CID 119085413
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
2-cyclopropyl-9-methyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;dihydrochloride
CID 11581847
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 11689300

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 1383248) is 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is CCCc1c(C)nc(N)nc1OCC(F)(F)F.
What is the InChIKey of 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is ODGBRFAHLLZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-7-6(2)15-9(14)16-8(7)17-5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 1383248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).