6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H21F3N4O — CID 106774344

IUPAC6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(OCCCN(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-4-6-17-10-9-11(21-8-5-7-20(2)3)19-12(18-10)13(14,15)16/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyOGQYYLFPYLFKNH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.65
Rot. Bonds8

About 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774344) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774344
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(OCCCN(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-4-6-17-10-9-11(21-8-5-7-20(2)3)19-12(18-10)13(14,15)16/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyOGQYYLFPYLFKNH-UHFFFAOYSA-N
XLogP2.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774376
4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772089
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774344) is 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(OCCCN(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OGQYYLFPYLFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-4-6-17-10-9-11(21-8-5-7-20(2)3)19-12(18-10)13(14,15)16/h9H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 306.33 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).