4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H19F3N4O — CID 114564199

IUPAC4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-12-19-10(13(14,15)16)8-11(20-12)18-9-3-6-21-7-4-9/h8-9H,2-7H2,1H3,(H2,17,18,19,20)
InChIKeyXAHVLPBAIHIJSJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.91
Rot. Bonds5

About 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564199) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564199
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-12-19-10(13(14,15)16)8-11(20-12)18-9-3-6-21-7-4-9/h8-9H,2-7H2,1H3,(H2,17,18,19,20)
InChIKeyXAHVLPBAIHIJSJ-UHFFFAOYSA-N
XLogP2.91
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565646
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565961
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564199) is 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(NC2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XAHVLPBAIHIJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-5-17-12-19-10(13(14,15)16)8-11(20-12)18-9-3-6-21-7-4-9/h8-9H,2-7H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 304.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).