N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O — CID 131996525

IUPACN-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)OCCNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)17-4-3-14-9-15-5-8(6-16-9)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyYVGYYXZTYWDQAF-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.33
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 131996525) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID131996525
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)OCCNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)17-4-3-14-9-15-5-8(6-16-9)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyYVGYYXZTYWDQAF-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.33
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-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
1-(2-(Propan-2-yloxy)pyrimidin-5-yl)methanamine; trifluoroacetic acid
CID 165898558
5-bromo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidin-2-amine
CID 53624244
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866727
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328398
4-(5-Fluoropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 121020737
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 126829731
N-(2,2-difluoroethyl)-5-fluoro-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidin-4-amine
CID 132317114
trans-(1R,2R)-2-(difluoromethoxy)-N-[(2-ethylpyrimidin-5-yl)methyl]cyclopentan-1-amine
CID 137997851
N-methyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 11030365
N'-[[2-(trifluoromethoxy)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 21697996

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 131996525) is N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)OCCNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YVGYYXZTYWDQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)17-4-3-14-9-15-5-8(6-16-9)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 131996525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).