6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide

C9H11F3N4O — CID 107551174

IUPAC6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-4-3-6(7(13)14)16-8(15-4)17-5(2)9(10,11)12/h3,5H,1-2H3,(H3,13,14)
InChIKeyJJMKRVHFBUOUSP-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.40
Rot. Bonds3

About 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide

6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide (PubChem CID 107551174) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
PubChem CID107551174
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-4-3-6(7(13)14)16-8(15-4)17-5(2)9(10,11)12/h3,5H,1-2H3,(H3,13,14)
InChIKeyJJMKRVHFBUOUSP-UHFFFAOYSA-N
XLogP1.40
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide (CID 107551174) is 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(OC(C)C(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide?
The InChIKey is JJMKRVHFBUOUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-4-3-6(7(13)14)16-8(15-4)17-5(2)9(10,11)12/h3,5H,1-2H3,(H3,13,14).
What are the key properties of 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide?
6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide has a molecular weight of 248.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).