4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride

C15H13ClF4N8O — CID 163598898

IUPAC4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride
SMILESCOc1nc(-c2ccncn2)nc(F)c1C(F)(F)F.Cl.[H]/N=C(\N)c1ccncn1
InChIInChI=1S/C10H6F4N4O.C5H6N4.ClH/c1-19-9-6(10(12,13)14)7(11)17-8(18-9)5-2-3-15-4-16-5;6-5(7)4-1-2-8-3-9-4;/h2-4H,1H3;1-3H,(H3,6,7);1H
InChIKeyYPAOZCZIXKWGMA-UHFFFAOYSA-N
MW432.77 g/mol
LogP2.28
Rot. Bonds3

About 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride

4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride (PubChem CID 163598898) has the molecular formula C15H13ClF4N8O and a molecular weight of 432.77 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride
PubChem CID163598898
Molecular FormulaC15H13ClF4N8O
Molecular Weight432.77 g/mol
Exact Mass432.08
IUPAC Name4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride
SMILESCOc1nc(-c2ccncn2)nc(F)c1C(F)(F)F.Cl.[H]/N=C(\N)c1ccncn1
InChIInChI=1S/C10H6F4N4O.C5H6N4.ClH/c1-19-9-6(10(12,13)14)7(11)17-8(18-9)5-2-3-15-4-16-5;6-5(7)4-1-2-8-3-9-4;/h2-4H,1H3;1-3H,(H3,6,7);1H
InChIKeyYPAOZCZIXKWGMA-UHFFFAOYSA-N
XLogP2.28
TPSA136.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine
CID 156702028
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-4-carboximidamide
CID 107550563
2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877275
5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66306410
3-methoxypyridazine-4-carboximidamide
CID 80514231
2,2,2-trifluoroethyl pyrimidine-4-carboxylate
CID 154065367
4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
CID 162358723
2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide
CID 107551802
6-(3-methoxyphenyl)pyridine-2-carboximidamide;hydrochloride
CID 53485064
6-pyridin-4-ylpyridine-2-carboximidamide;hydrochloride
CID 46839680
triazine-4-carboximidamide
CID 154182712

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride?
The IUPAC name of 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride (CID 163598898) is 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride.
What is the SMILES notation for 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride?
The canonical SMILES for 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride is COc1nc(-c2ccncn2)nc(F)c1C(F)(F)F.Cl.[H]/N=C(\N)c1ccncn1.
What is the InChIKey of 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride?
The InChIKey is YPAOZCZIXKWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O.C5H6N4.ClH/c1-19-9-6(10(12,13)14)7(11)17-8(18-9)5-2-3-15-4-16-5;6-5(7)4-1-2-8-3-9-4;/h2-4H,1H3;1-3H,(H3,6,7);1H.
What are the key properties of 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride?
4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride has a molecular weight of 432.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 163598898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).