N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine

C12H18F3N3O — CID 83189460

IUPACN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OC(C)C(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-6-10-7-17-11(18-8(10)2)19-9(3)12(13,14)15/h7,9,16H,4-6H2,1-3H3
InChIKeyOCHZFUFTBAJVHO-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.61
Rot. Bonds6

About N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83189460) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83189460
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OC(C)C(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-6-10-7-17-11(18-8(10)2)19-9(3)12(13,14)15/h7,9,16H,4-6H2,1-3H3
InChIKeyOCHZFUFTBAJVHO-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
2-Pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
CID 64585868
4-(Trifluoromethyl)-5-methylpyrimidin-2-amine
CID 10773633
2-[2-[(4,5-Dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 75436307
2-Propan-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 17818253
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
CID 58228246
1-[2-(2,2,2-Trifluoroethoxy)pyrimidin-5-yl]ethanamine
CID 58629018
N-[[2-bromo-4-(trifluoromethyl)pyrimidin-5-yl]methyl]acetamide
CID 59453391
2-(2,2-Difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487097
2-(2,2,2-Trifluoro-ethoxy)-6,7-dihydro-5H-pyrrolo[3,4-D]pyrimidine
CID 59487099
6-Propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487100

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine (CID 83189460) is N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(OC(C)C(F)(F)F)nc1C.
What is the InChIKey of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is OCHZFUFTBAJVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-5-16-6-10-7-17-11(18-8(10)2)19-9(3)12(13,14)15/h7,9,16H,4-6H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83189460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).