5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine

C14H14F3N5O — CID 145369579

IUPAC5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine
SMILES[H]/N=C(\c1ncc(OC)c(N)n1)c1ccccc1NCC(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-23-10-6-20-13(22-12(10)19)11(18)8-4-2-3-5-9(8)21-7-14(15,16)17/h2-6,18,21H,7H2,1H3,(H2,19,20,22)/b18-11-
InChIKeyHXZKBLXZUQHQIQ-WQRHYEAKSA-N
MW325.29 g/mol
LogP2.46
Rot. Bonds5

About 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine

5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine (PubChem CID 145369579) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine
PubChem CID145369579
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine
SMILES[H]/N=C(\c1ncc(OC)c(N)n1)c1ccccc1NCC(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-23-10-6-20-13(22-12(10)19)11(18)8-4-2-3-5-9(8)21-7-14(15,16)17/h2-6,18,21H,7H2,1H3,(H2,19,20,22)/b18-11-
InChIKeyHXZKBLXZUQHQIQ-WQRHYEAKSA-N
XLogP2.46
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,3-difluoroazetidin-1-yl)methyl]-2-[2-[(4-ethoxy-2,6-difluorophenyl)methylamino]benzenecarboximidoyl]pyrimidin-4-amine
CID 145043470
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
5-(2-methyl-1-benzofuran-3-carboximidoyl)-4-(2,2,2-trifluoroethylamino)pyridine-2-carbaldehyde
CID 170082549
methyl N-[4,6-diamino-2-[2-[(2-fluorophenyl)methylamino]pyridine-3-carboximidoyl]pyrimidin-5-yl]-N-methylcarbamate
CID 118881826
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257712
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-(2-methoxyanilino)pyridine-3-carboximidamide
CID 82253401
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine (CID 145369579) is 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine is [H]/N=C(\c1ncc(OC)c(N)n1)c1ccccc1NCC(F)(F)F.
What is the InChIKey of 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine?
The InChIKey is HXZKBLXZUQHQIQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-23-10-6-20-13(22-12(10)19)11(18)8-4-2-3-5-9(8)21-7-14(15,16)17/h2-6,18,21H,7H2,1H3,(H2,19,20,22)/b18-11-.
What are the key properties of 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine?
5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(2,2,2-trifluoroethylamino)benzenecarboximidoyl]pyrimidin-4-amine is sourced from PubChem (CID 145369579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).