6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

C10H14F3N3O — CID 113327797

IUPAC6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O/c1-2-17-9-6-8(15-7-16-9)14-5-3-4-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyYPIOHRCZWQWEHX-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.63
Rot. Bonds6

About 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (PubChem CID 113327797) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
PubChem CID113327797
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O/c1-2-17-9-6-8(15-7-16-9)14-5-3-4-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyYPIOHRCZWQWEHX-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.63
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

6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523207
N-(5-chloro-2,2-dimethylpentyl)-6-ethoxypyrimidin-4-amine
CID 106142050
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187
N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80877318
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (CID 113327797) is 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is CCOc1cc(NCCCC(F)(F)F)ncn1.
What is the InChIKey of 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The InChIKey is YPIOHRCZWQWEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-17-9-6-8(15-7-16-9)14-5-3-4-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is sourced from PubChem (CID 113327797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).