N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

C13H20F3N3O — CID 82794156

IUPACN,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-4-6-10-18-11(17-3)9(2)12(19-10)20-8-5-7-13(14,15)16/h4-8H2,1-3H3,(H,17,18,19)
InChIKeyBMHUMYMPAZFNBU-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.50
Rot. Bonds7

About N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 82794156) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID82794156
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-4-6-10-18-11(17-3)9(2)12(19-10)20-8-5-7-13(14,15)16/h4-8H2,1-3H3,(H,17,18,19)
InChIKeyBMHUMYMPAZFNBU-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.50
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

5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
CID 80989853
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80989080
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 82794156) is N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is CCCc1nc(NC)c(C)c(OCCCC(F)(F)F)n1.
What is the InChIKey of N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is BMHUMYMPAZFNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-4-6-10-18-11(17-3)9(2)12(19-10)20-8-5-7-13(14,15)16/h4-8H2,1-3H3,(H,17,18,19).
What are the key properties of N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 82794156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).